3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H10N2O4S3 — CID 43314447

IUPAC3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)s1
InChIInChI=1S/C10H10N2O4S3/c1-5-3-7(18-8(5)9(13)14)19(15,16)12-10-11-4-6(2)17-10/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyPYJBICPIRSLWFB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.32
Rot. Bonds4

About 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43314447) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43314447
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)s1
InChIInChI=1S/C10H10N2O4S3/c1-5-3-7(18-8(5)9(13)14)19(15,16)12-10-11-4-6(2)17-10/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyPYJBICPIRSLWFB-UHFFFAOYSA-N
XLogP2.32
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Difluoro-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 28533005
2-Fluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 29040854
4-Fluoro-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 29799070
3-Fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 79187066
2-Fluoro-3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81426341
3,4-Difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 105111278
4-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 6489807
4-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 7412995
3-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 16788425
5-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 29039414
4-Methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 29292882
2-[5-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29545268

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 43314447) is 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cnc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)s1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PYJBICPIRSLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-5-3-7(18-8(5)9(13)14)19(15,16)12-10-11-4-6(2)17-10/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43314447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).