3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole

C5H4ClN5S — CID 130521815

IUPAC3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole
SMILESCn1cc(-c2nc(Cl)ns2)nn1
InChIInChI=1S/C5H4ClN5S/c1-11-2-3(8-10-11)4-7-5(6)9-12-4/h2H,1H3
InChIKeyNCPXHSVQSITAJT-UHFFFAOYSA-N
MW201.64 g/mol
LogP0.99
Rot. Bonds1

About 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole

3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole (PubChem CID 130521815) has the molecular formula C5H4ClN5S and a molecular weight of 201.64 g/mol. Its IUPAC name is 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole
PubChem CID130521815
Molecular FormulaC5H4ClN5S
Molecular Weight201.64 g/mol
Exact Mass200.99
IUPAC Name3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole
SMILESCn1cc(-c2nc(Cl)ns2)nn1
InChIInChI=1S/C5H4ClN5S/c1-11-2-3(8-10-11)4-7-5(6)9-12-4/h2H,1H3
InChIKeyNCPXHSVQSITAJT-UHFFFAOYSA-N
XLogP0.99
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-(1-methyltriazol-4-yl)-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

Related Compounds

4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 130521306
4-(2-chloroethyl)-2-(1-methyltriazol-4-yl)-1,3-thiazole
CID 130598605
3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole
CID 102944047
2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
CID 155952273
3-chloro-5-(1-methyltriazol-4-yl)aniline
CID 165401729
1-methyl-4-phenyltriazole
CID 11309663
5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine
CID 130602628
2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid
CID 165460315
methyl 2-chloro-4-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864582
3-chloro-4-(1-methyltriazol-4-yl)aniline
CID 130602625
methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130598615
1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole
CID 167907347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole (CID 130521815) is 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole is Cn1cc(-c2nc(Cl)ns2)nn1.
What is the InChIKey of 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole?
The InChIKey is NCPXHSVQSITAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5S/c1-11-2-3(8-10-11)4-7-5(6)9-12-4/h2H,1H3.
What are the key properties of 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole?
3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole has a molecular weight of 201.64 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130521815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).