3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid

C9H12N2O2S2 — CID 103065148

IUPAC3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2CCSC2)c1C(=O)O
InChIInChI=1S/C9H12N2O2S2/c1-5-7(9(12)13)8(15-11-5)10-6-2-3-14-4-6/h6,10H,2-4H2,1H3,(H,12,13)
InChIKeyKLWCCQNHMKLFQG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 103065148) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID103065148
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2CCSC2)c1C(=O)O
InChIInChI=1S/C9H12N2O2S2/c1-5-7(9(12)13)8(15-11-5)10-6-2-3-14-4-6/h6,10H,2-4H2,1H3,(H,12,13)
InChIKeyKLWCCQNHMKLFQG-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(thiolan-3-ylamino)-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid (CID 103065148) is 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC2CCSC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is KLWCCQNHMKLFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-5-7(9(12)13)8(15-11-5)10-6-2-3-14-4-6/h6,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 244.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 103065148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).