2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid

C10H12N2O3S2 — CID 66380845

IUPAC2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)C2CCSC2)n1
InChIInChI=1S/C10H12N2O3S2/c13-9(6-1-2-16-4-6)11-3-8-12-7(5-17-8)10(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15)
InChIKeyHJCZDCLOUGDPNU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.21
Rot. Bonds4

About 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380845) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380845
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)C2CCSC2)n1
InChIInChI=1S/C10H12N2O3S2/c13-9(6-1-2-16-4-6)11-3-8-12-7(5-17-8)10(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15)
InChIKeyHJCZDCLOUGDPNU-UHFFFAOYSA-N
XLogP1.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(thiolane-3-carbonylamino)methyl]-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-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
2-[(cyclopent-3-ene-1-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380657
2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380661
2-[(thiane-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 80594027
2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244970
2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245350
2-[[[(1S,2R)-2-cyclohexylcyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 124570507
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-[[[(2R)-1,4-dioxane-2-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 129372490
2-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245327

Frequently Asked Questions

What is the IUPAC name of 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 66380845) is 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNC(=O)C2CCSC2)n1.
What is the InChIKey of 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HJCZDCLOUGDPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c13-9(6-1-2-16-4-6)11-3-8-12-7(5-17-8)10(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15).
What are the key properties of 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).