4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid

C10H14N2O2S2 — CID 107296987

IUPAC4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNCC2CCSC2)cs1
InChIInChI=1S/C10H14N2O2S2/c13-10(14)9-12-8(6-16-9)4-11-3-7-1-2-15-5-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyHXVXSTVOEUTPAR-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.68
Rot. Bonds5

About 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid

4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 107296987) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID107296987
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNCC2CCSC2)cs1
InChIInChI=1S/C10H14N2O2S2/c13-10(14)9-12-8(6-16-9)4-11-3-7-1-2-15-5-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyHXVXSTVOEUTPAR-UHFFFAOYSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-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

4-[(1,4-dithian-2-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103264391
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103251563
4-[[(2-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243495
4-[[(2-methylcyclopentyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 107419483
4-[[2-(4-methylcyclohexyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103252770
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103253204
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
4-[[(2-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103267195
4-[[(4-bromophenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103234962
4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103250366
4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103237562

Frequently Asked Questions

What is the IUPAC name of 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid (CID 107296987) is 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CNCC2CCSC2)cs1.
What is the InChIKey of 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is HXVXSTVOEUTPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c13-10(14)9-12-8(6-16-9)4-11-3-7-1-2-15-5-7/h6-7,11H,1-5H2,(H,13,14).
What are the key properties of 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 258.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiolan-3-ylmethylamino)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 107296987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).