2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol

C7H10N2S3 — CID 103074170

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
SMILESC=C(CS)CSc1nnc(C)s1
InChIInChI=1S/C7H10N2S3/c1-5(3-10)4-11-7-9-8-6(2)12-7/h10H,1,3-4H2,2H3
InChIKeyWAXLWKIFRAYWKY-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.42
Rot. Bonds4

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol (PubChem CID 103074170) has the molecular formula C7H10N2S3 and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
PubChem CID103074170
Molecular FormulaC7H10N2S3
Molecular Weight218.37 g/mol
Exact Mass218.00
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
SMILESC=C(CS)CSc1nnc(C)s1
InChIInChI=1S/C7H10N2S3/c1-5(3-10)4-11-7-9-8-6(2)12-7/h10H,1,3-4H2,2H3
InChIKeyWAXLWKIFRAYWKY-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol 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 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol (CID 103074170) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol is C=C(CS)CSc1nnc(C)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol?
The InChIKey is WAXLWKIFRAYWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S3/c1-5(3-10)4-11-7-9-8-6(2)12-7/h10H,1,3-4H2,2H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol has a molecular weight of 218.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103074170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).