N-(4-(5-Nitro-2-furyl)-2-thiazolyl)acetamide
Basic information
- CAS
531-82-8- Standard SMILES
CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1- InChIKey
GYRMPDLIHUXUIG-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4S
- Average molar mass
- 253.24 g/mol
- Monoisotopic mass
- 253.01572689
Overview
N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- N-(4-(5-Nitro-2-furyl)-2-thiazolyl)acetamide
- IUPAC
- N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
- English name
- furothiazole
- Molecular formula
- C9H7N3O4S
- Molecular weight
- 253.23
Names & synonyms
FurothiazoleFurathiazole531-82-8NFTAFuriumN-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamideN-(4-(5-Nitro-2-furyl)-2-thiazolyl)acetamide2-Acetamido-4-(5-nitro-2-furyl)thiazoleBACTOFURILQ42HOE346SDTXSID9020952Acetamide, N-(4-(5-nitro-2-furyl)-2-thiazolyl)-
Show more names
AS-176652-acetylamino-4-(5-nitro-2-furyl)thiazoleN-(4-(5-NITRO-2-FURYL)-THIAZOLYL)ACETAMIDEN-[4-(5-Nitro-2-furyl)-2-thiazoly]acetamideN-(4-(5-NITRO-2-FURYL)-2-THIAZOYL)ACETAMIDE
RefChem:141845DTXCID50952N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamideN-(4-(5-nitrofuran-2-yl)thiazol-2-yl)acetamideAcetamide, N-[4-(5-nitro-2-furanyl)-2-thiazolyl]-N-(4-(5-NITRO-2-FURANYL)-2-THIAZOLYL)ACETAMIDEAcetamide, N-(4-(5-nitro-2-furanyl)-2-thiazolyl)-CCRIS 446
Database identifiers
- CAS
531-82-8- PubChem CID
- 10753
- DTXSID
DTXSID9020952- ChEMBL
CHEMBL259186
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 296 °C · 296 °C (decomp)
- Density
- 1.559 · 1.5590 (rough estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
- pka
- 9.34 · 9.34±0.50(Predicted)
- FDA UNII
- 42 HOE346S · Q42HOE346S
- Proposition 65 List
- 4 · N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide
- IARC
- 2 B · 2B (Vol. 7, Sup 7) 1987
- EPA Substance Registry System
- Furothiazole (531-82-8)
- Toxicity
- 100 ng/plate · mma-sat 100 ng/plate MUREAV 40,9,76
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H350: May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazard Classes and Categories
Carcinogenicity - Category 2
Carcinogenicity - Category 1B
Toxicology
Carcinogen Classification
N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide
Group 2B: Possibly carcinogenic to humans
Volume 7: (1974) Some Anti-thyroid and Related Substances, Nitrofurans and Industrial Chemicals
1987
1987
RAIS Toxicity Values
0.00043
CALEPA
1.5
CALEPA
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
3.60e-01
1.50e+00
6.50e-03
2.90e-02
5.10e-02
4.00e+03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
3.60e+01
1.50e+02
Chemistry & industry
Additional notes
DefinitionChEBI: N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide is an aromatic amide.
Suppliers
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Compound notes
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