Thieno(3,2-d)isothiazole-5-carboxamide, 4-amino-3-((phenylmethyl)thio)-
Basic information
- CAS
135489-16-6- Standard SMILES
NC(=O)c1sc2snc(SCc3ccccc3)c2c1N- InChIKey
XVMPGHIOPPGVAM-UHFFFAOYSA-N- Molecular formula
- C13H11N3OS3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.0064255
Names & identifiers
- Preferred name
- Thieno(3,2-d)isothiazole-5-carboxamide, 4-amino-3-((phenylmethyl)thio)-
- IUPAC
- 4-amino-3-benzylsulfanylthieno[3,2-d][1,2]thiazole-5-carboxamide
Names & synonyms
BRN 4265164Thieno(3,2-d)isothiazole-5-carboxamide, 4-amino-3-((phenylmethyl)thio)-135489-16-64-Amino-3-((phenylmethyl)thio)thieno(3,2-d)isothiazole-5-carboxamideDTXSID90159415RefChem:385043DTXCID70819064-Amino-3-(benzylsulfanyl)thieno[3,2-d][1,2]thiazole-5-carboxamide
Database identifiers
- CAS
135489-16-6- PubChem CID
- 3077784
- DTXSID
DTXSID90159415
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
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Related reactions
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Compound notes
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