4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C9H8N2O4S3 — CID 61073755

IUPAC4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2csc(C(=O)O)c2)s1
InChIInChI=1S/C9H8N2O4S3/c1-5-3-10-9(17-5)11-18(14,15)6-2-7(8(12)13)16-4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyDDPPCAOUILMPID-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.01
Rot. Bonds4

About 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61073755) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61073755
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Name4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2csc(C(=O)O)c2)s1
InChIInChI=1S/C9H8N2O4S3/c1-5-3-10-9(17-5)11-18(14,15)6-2-7(8(12)13)16-4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyDDPPCAOUILMPID-UHFFFAOYSA-N
XLogP2.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[4-(Benzenesulfonyl)thiophen-2-yl]sulfonylamino]-1,3-thiazol-5-yl]acetic acid
CID 21980257
4-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 6489807
3-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 16788425
Methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
5-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 29039414
2-[5-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29545268
3-(1,3-Thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43090759
5-Bromo-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43173226
3-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235756
3-Methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314385
3-Methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314447
5-Bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43362379

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 61073755) is 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cnc(NS(=O)(=O)c2csc(C(=O)O)c2)s1.
What is the InChIKey of 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DDPPCAOUILMPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c1-5-3-10-9(17-5)11-18(14,15)6-2-7(8(12)13)16-4-6/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61073755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).