4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide

C6H7ClN2O3S — CID 130683669

IUPAC4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1s[nH]c(=O)c1Cl
InChIInChI=1S/C6H7ClN2O3S/c1-9(12-2)6(11)4-3(7)5(10)8-13-4/h1-2H3,(H,8,10)
InChIKeyNSFNJPZIJYMQNU-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.72
Rot. Bonds2

About 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide

4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide (PubChem CID 130683669) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide
PubChem CID130683669
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1s[nH]c(=O)c1Cl
InChIInChI=1S/C6H7ClN2O3S/c1-9(12-2)6(11)4-3(7)5(10)8-13-4/h1-2H3,(H,8,10)
InChIKeyNSFNJPZIJYMQNU-UHFFFAOYSA-N
XLogP0.72
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.72
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

4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
CID 59705066
2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 164902665
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
N-methoxy-N,3,4-trimethylthiophene-2-carboxamide
CID 10536001
2,6-dichloro-N-methoxy-N,3-dimethylbenzamide
CID 171368105
N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide
CID 53404826
N-methoxy-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 103841018
2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide
CID 134477966
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide (CID 130683669) is 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide is CON(C)C(=O)c1s[nH]c(=O)c1Cl.
What is the InChIKey of 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide?
The InChIKey is NSFNJPZIJYMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c1-9(12-2)6(11)4-3(7)5(10)8-13-4/h1-2H3,(H,8,10).
What are the key properties of 4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide?
4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide has a molecular weight of 222.65 g/mol, XLogP of 0.72, 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-N-methyl-3-oxo-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 130683669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).