2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

C9H11NO2S2 — CID 115090879

IUPAC2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CC2CCCS2)s1
InChIInChI=1S/C9H11NO2S2/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h5-6H,1-4H2,(H,11,12)
InChIKeyPVNYJFCLLFJFTN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.28
Rot. Bonds3

About 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115090879) has the molecular formula C9H11NO2S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID115090879
Molecular FormulaC9H11NO2S2
Molecular Weight229.33 g/mol
Exact Mass229.02
IUPAC Name2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CC2CCCS2)s1
InChIInChI=1S/C9H11NO2S2/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h5-6H,1-4H2,(H,11,12)
InChIKeyPVNYJFCLLFJFTN-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-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-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80587042
2-(thian-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80612543
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 115090145
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 136571997
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191362
2-(3,3-dimethylbutyl)-1,3-thiazole-5-carboxylic acid
CID 59238443
2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191374
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140239
1-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088642
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
1-(thiolan-2-ylmethyl)imidazole-4-carboxylic acid
CID 130481827

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 115090879) is 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CC2CCCS2)s1.
What is the InChIKey of 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PVNYJFCLLFJFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S2/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115090879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).