3-chloro-5-methyl-1,2,4-thiadiazole

C3H3ClN2S — CID 21138951

IUPAC3-chloro-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(Cl)ns1
InChIInChI=1S/C3H3ClN2S/c1-2-5-3(4)6-7-2/h1H3
InChIKeyKILRKGLXUPFSBM-UHFFFAOYSA-N
MW134.59 g/mol
LogP1.50
Rot. Bonds

About 3-chloro-5-methyl-1,2,4-thiadiazole

3-chloro-5-methyl-1,2,4-thiadiazole (PubChem CID 21138951) has the molecular formula C3H3ClN2S and a molecular weight of 134.59 g/mol. Its IUPAC name is 3-chloro-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-methyl-1,2,4-thiadiazole
PubChem CID21138951
Molecular FormulaC3H3ClN2S
Molecular Weight134.59 g/mol
Exact Mass133.97
IUPAC Name3-chloro-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(Cl)ns1
InChIInChI=1S/C3H3ClN2S/c1-2-5-3(4)6-7-2/h1H3
InChIKeyKILRKGLXUPFSBM-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.59
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-methyl-1,2,4-thiadiazole 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 3-chloro-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-methyl-1,2,4-thiadiazole (CID 21138951) is 3-chloro-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-methyl-1,2,4-thiadiazole is Cc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-methyl-1,2,4-thiadiazole?
The InChIKey is KILRKGLXUPFSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2S/c1-2-5-3(4)6-7-2/h1H3.
What are the key properties of 3-chloro-5-methyl-1,2,4-thiadiazole?
3-chloro-5-methyl-1,2,4-thiadiazole has a molecular weight of 134.59 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 21138951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).