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

C10H10N2O4S3 — CID 61284002

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C10H10N2O4S3/c1-6-12-7(5-17-6)4-11-19(15,16)9-3-2-8(18-9)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKeyHNHVIKJWTXGONF-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.69
Rot. Bonds5

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

5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61284002) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61284002
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C10H10N2O4S3/c1-6-12-7(5-17-6)4-11-19(15,16)9-3-2-8(18-9)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKeyHNHVIKJWTXGONF-UHFFFAOYSA-N
XLogP1.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63945805
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 61284002) is 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1nc(CNS(=O)(=O)c2ccc(C(=O)O)s2)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HNHVIKJWTXGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-6-12-7(5-17-6)4-11-19(15,16)9-3-2-8(18-9)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14).
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61284002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).