1,3-thiazol-5-ylmethanethiol

C4H5NS2 — CID 4713119

IUPAC1,3-thiazol-5-ylmethanethiol
SMILESSCc1cncs1
InChIInChI=1S/C4H5NS2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKeyMNXHELVQMHZHRR-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.57
Rot. Bonds1

About 1,3-thiazol-5-ylmethanethiol

1,3-thiazol-5-ylmethanethiol (PubChem CID 4713119) has the molecular formula C4H5NS2 and a molecular weight of 131.22 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethanethiol.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethanethiol
PubChem CID4713119
Molecular FormulaC4H5NS2
Molecular Weight131.22 g/mol
Exact Mass130.99
IUPAC Name1,3-thiazol-5-ylmethanethiol
SMILESSCc1cncs1
InChIInChI=1S/C4H5NS2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKeyMNXHELVQMHZHRR-UHFFFAOYSA-N
XLogP1.57
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,3-thiazol-5-ylmethanethiol 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 1,3-thiazol-5-ylmethanethiol?
The IUPAC name of 1,3-thiazol-5-ylmethanethiol (CID 4713119) is 1,3-thiazol-5-ylmethanethiol.
What is the SMILES notation for 1,3-thiazol-5-ylmethanethiol?
The canonical SMILES for 1,3-thiazol-5-ylmethanethiol is SCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethanethiol?
The InChIKey is MNXHELVQMHZHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2.
What are the key properties of 1,3-thiazol-5-ylmethanethiol?
1,3-thiazol-5-ylmethanethiol has a molecular weight of 131.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethanethiol is sourced from PubChem (CID 4713119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).