4-chloro-N-methoxy-1,3-thiazole-2-carboxamide

C5H5ClN2O2S — CID 130831213

IUPAC4-chloro-N-methoxy-1,3-thiazole-2-carboxamide
SMILESCONC(=O)c1nc(Cl)cs1
InChIInChI=1S/C5H5ClN2O2S/c1-10-8-4(9)5-7-3(6)2-11-5/h2H,1H3,(H,8,9)
InChIKeyFJSDAISIDTWKFQ-UHFFFAOYSA-N
MW192.63 g/mol
LogP1.09
Rot. Bonds2

About 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide

4-chloro-N-methoxy-1,3-thiazole-2-carboxamide (PubChem CID 130831213) has the molecular formula C5H5ClN2O2S and a molecular weight of 192.63 g/mol. Its IUPAC name is 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methoxy-1,3-thiazole-2-carboxamide
PubChem CID130831213
Molecular FormulaC5H5ClN2O2S
Molecular Weight192.63 g/mol
Exact Mass191.98
IUPAC Name4-chloro-N-methoxy-1,3-thiazole-2-carboxamide
SMILESCONC(=O)c1nc(Cl)cs1
InChIInChI=1S/C5H5ClN2O2S/c1-10-8-4(9)5-7-3(6)2-11-5/h2H,1H3,(H,8,9)
InChIKeyFJSDAISIDTWKFQ-UHFFFAOYSA-N
XLogP1.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide
CID 130660610
4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
CID 130653904
2-chloro-N-methoxy-4-methylthiophene-3-carboxamide
CID 126990720
N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 89470086
4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 130710425
6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide
CID 169269963
4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide
CID 87217566
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
5,6-dichloro-N-methoxy-2-methylpyridine-3-carboxamide
CID 130565231
4-chloro-2-[(2E)-penta-2,4-dien-2-yl]-1,3-thiazole
CID 89286590
methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
CID 83156794
N-[3-[(3-acetamido-4-methylbenzoyl)amino]phenyl]-4-chloro-1,3-thiazole-2-carboxamide
CID 167981865

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide (CID 130831213) is 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide is CONC(=O)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide?
The InChIKey is FJSDAISIDTWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S/c1-10-8-4(9)5-7-3(6)2-11-5/h2H,1H3,(H,8,9).
What are the key properties of 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide?
4-chloro-N-methoxy-1,3-thiazole-2-carboxamide has a molecular weight of 192.63 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methoxy-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130831213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).