Ethyl 6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo(2,3-d)(1,3)thiazol-2-ylcarbamate

HCID 337145

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Basic information

CAS: 72083-57-9
Standard SMILES: CCOC(=O)Nc1nc2c(s1)c([N+](=O)[O-])cn2C
InChIKey: BLWVOWFYEJLMIW-UHFFFAOYSA-N
Molecular formula: C9H10N4O4S
Average molar mass: 270.27 g/mol
Monoisotopic mass: 270.04227599

Names & identifiers

Preferred name: Ethyl 6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo(2,3-d)(1,3)thiazol-2-ylcarbamate
IUPAC: ethyl N-(4-methyl-6-nitropyrrolo[2,3-d][1,3]thiazol-2-yl)carbamate

Names & synonyms

72083-57-9NSC 354210Ethyl 6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo(2,3-d)(1,3)thiazol-2-ylcarbamateDTXSID30222415Ethyl 6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo[2,3-d][1,3]thiazol-2-ylcarbamateRefChem:344489DTXCID30144906NSC354210NSC-3542104YYP8BFV5Nethyl N-(4-methyl-6-nitro-pyrrolo[2,3-d]thiazol-2-yl)carbamateEthyl (4-methyl-6-nitro-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl)carbamate

Show more names

ethyl N-{4-methyl-6-nitro-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl}carbamateCarbamic acid, (4-methyl-6-nitro-4H-pyrrolo[2,3-d]thiazol-2-yl)-, ethyl ester

Database identifiers

CAS: 72083-57-9
PubChem CID: 337145
DTXSID: DTXSID30222415
UNII: 4YYP8BFV5N

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 130 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 350

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