2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

C9H10N2O4S — CID 116697079

IUPAC2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)N2CCC(O)C2)n1
InChIInChI=1S/C9H10N2O4S/c12-5-1-2-11(3-5)8(13)7-10-6(4-16-7)9(14)15/h4-5,12H,1-3H2,(H,14,15)
InChIKeyYPIJUJGNEUJNQL-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.05
Rot. Bonds2

About 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697079) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697079
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)N2CCC(O)C2)n1
InChIInChI=1S/C9H10N2O4S/c12-5-1-2-11(3-5)8(13)7-10-6(4-16-7)9(14)15/h4-5,12H,1-3H2,(H,14,15)
InChIKeyYPIJUJGNEUJNQL-UHFFFAOYSA-N
XLogP0.05
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-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

2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697149
2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697045
2-[[(3-hydroxypyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379596
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
2-(4-tert-butylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697187
2-(4-ethylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697184
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone
CID 173069938
2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696809
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697235
4-(3-ethylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893030
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 103357450
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 116697079) is 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)N2CCC(O)C2)n1.
What is the InChIKey of 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YPIJUJGNEUJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c12-5-1-2-11(3-5)8(13)7-10-6(4-16-7)9(14)15/h4-5,12H,1-3H2,(H,14,15).
What are the key properties of 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).