3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid

C9H13N3O4S2 — CID 60869216

IUPAC3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)N2CCCC2)c1C(=O)O
InChIInChI=1S/C9H13N3O4S2/c1-6-7(9(13)14)8(17-10-6)11-18(15,16)12-4-2-3-5-12/h11H,2-5H2,1H3,(H,13,14)
InChIKeyDSOJIQNVTSAONK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds4

About 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 60869216) has the molecular formula C9H13N3O4S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID60869216
Molecular FormulaC9H13N3O4S2
Molecular Weight291.35 g/mol
Exact Mass291.03
IUPAC Name3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)N2CCCC2)c1C(=O)O
InChIInChI=1S/C9H13N3O4S2/c1-6-7(9(13)14)8(17-10-6)11-18(15,16)12-4-2-3-5-12/h11H,2-5H2,1H3,(H,13,14)
InChIKeyDSOJIQNVTSAONK-UHFFFAOYSA-N
XLogP0.90
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60869218
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869983
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79988799
5-[(2-fluoro-5-methylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870153
5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703
3-methyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]-1,2-thiazole-4-carboxylic acid
CID 103968589
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402940
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148
5-(but-2-ynoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107986520
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid (CID 60869216) is 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)N2CCCC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is DSOJIQNVTSAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S2/c1-6-7(9(13)14)8(17-10-6)11-18(15,16)12-4-2-3-5-12/h11H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).