Basic information
- CAS
72083-46-6- Standard SMILES
CCOC(=O)Nc1nc2cc(C(=O)OCC)n(C)c2s1- InChIKey
PQCKMCMCYCYEKX-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.07832714
Names & identifiers
- Preferred name
- Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate
- IUPAC
- ethyl 2-(ethoxycarbonylamino)-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Names & synonyms
72083-46-6NSC 354211Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylateDTXSID30222410Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylateEthyl 2-[(ethoxycarbonyl)amino]-4-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylateRefChem:342331DTXCID30144901NSC354211Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo[3,2-d]thiazole-5-carboxylateNSC-354211ethyl 2-(ethoxycarbonylamino)-4-methyl-pyrrolo[3,2-d]thiazole-5-carboxylate
Database identifiers
- CAS
72083-46-6- PubChem CID
- 337146
- DTXSID
DTXSID30222410
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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