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

C13H15N3O3S2 — CID 110696130

IUPAC4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H15N3O3S2/c1-9-8-20-13(16-9)12(17)15-7-6-10-2-4-11(5-3-10)21(14,18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyOMLPIWBCHORXFW-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.07
Rot. Bonds5

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

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 110696130) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID110696130
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H15N3O3S2/c1-9-8-20-13(16-9)12(17)15-7-6-10-2-4-11(5-3-10)21(14,18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyOMLPIWBCHORXFW-UHFFFAOYSA-N
XLogP1.07
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384826
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furo[3,2-b]pyridine-2-carboxamide
CID 16907015
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109319696
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
5,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46585831

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide (CID 110696130) is 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is OMLPIWBCHORXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-9-8-20-13(16-9)12(17)15-7-6-10-2-4-11(5-3-10)21(14,18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide?
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).