2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide

C12H13N3O3S2 — CID 47445064

IUPAC2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cs1
InChIInChI=1S/C12H13N3O3S2/c1-7-3-4-9(5-11(7)20(13,17)18)15-12(16)10-6-19-8(2)14-10/h3-6H,1-2H3,(H,15,16)(H2,13,17,18)
InChIKeyCFGDBRRPTJMLHE-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 47445064) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID47445064
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cs1
InChIInChI=1S/C12H13N3O3S2/c1-7-3-4-9(5-11(7)20(13,17)18)15-12(16)10-6-19-8(2)14-10/h3-6H,1-2H3,(H,15,16)(H2,13,17,18)
InChIKeyCFGDBRRPTJMLHE-UHFFFAOYSA-N
XLogP1.66
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198450
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
N-(4-methyl-3-sulfamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46519402
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618119
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
CID 34186723
N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24514747
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide (CID 47445064) is 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cs1.
What is the InChIKey of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CFGDBRRPTJMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-7-3-4-9(5-11(7)20(13,17)18)15-12(16)10-6-19-8(2)14-10/h3-6H,1-2H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47445064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).