1-(thiolan-3-yl)imidazole-2-carboxylic acid

C8H10N2O2S — CID 84733611

IUPAC1-(thiolan-3-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CCSC1
InChIInChI=1S/C8H10N2O2S/c11-8(12)7-9-2-3-10(7)6-1-4-13-5-6/h2-3,6H,1,4-5H2,(H,11,12)
InChIKeyLQBWPTUWIPBENJ-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.26
Rot. Bonds2

About 1-(thiolan-3-yl)imidazole-2-carboxylic acid

1-(thiolan-3-yl)imidazole-2-carboxylic acid (PubChem CID 84733611) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(thiolan-3-yl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(thiolan-3-yl)imidazole-2-carboxylic acid
PubChem CID84733611
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-(thiolan-3-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CCSC1
InChIInChI=1S/C8H10N2O2S/c11-8(12)7-9-2-3-10(7)6-1-4-13-5-6/h2-3,6H,1,4-5H2,(H,11,12)
InChIKeyLQBWPTUWIPBENJ-UHFFFAOYSA-N
XLogP1.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(thiolan-3-yl)imidazole-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

1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
CID 84737840
4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
CID 155910854
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid
CID 103064580
2-bromo-1-(thian-3-yl)imidazole
CID 84737479
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
1-cyclopropylimidazole-2-carbonyl azide
CID 91104855
2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
CID 56907677
1-cyclopropyl-3-(thiolan-3-ylamino)pyrazin-2-one
CID 103931022
1-(cyclopentylmethyl)imidazole-2-carboxylic acid
CID 84665405

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(thiolan-3-yl)imidazole-2-carboxylic acid (CID 84733611) is 1-(thiolan-3-yl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(thiolan-3-yl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(thiolan-3-yl)imidazole-2-carboxylic acid is O=C(O)c1nccn1C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)imidazole-2-carboxylic acid?
The InChIKey is LQBWPTUWIPBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(12)7-9-2-3-10(7)6-1-4-13-5-6/h2-3,6H,1,4-5H2,(H,11,12).
What are the key properties of 1-(thiolan-3-yl)imidazole-2-carboxylic acid?
1-(thiolan-3-yl)imidazole-2-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)imidazole-2-carboxylic acid is sourced from PubChem (CID 84733611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).