5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole

C9H7ClN2S — CID 20671095

IUPAC5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nsc(Cl)n2)c1
InChIInChI=1S/C9H7ClN2S/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3
InChIKeyNQMANBSOUSXOOI-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.17
Rot. Bonds1

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

5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole (PubChem CID 20671095) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole
PubChem CID20671095
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nsc(Cl)n2)c1
InChIInChI=1S/C9H7ClN2S/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3
InChIKeyNQMANBSOUSXOOI-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
5-Chloro-3-phenyl-1,2,4-thiadiazole
CID 32262
3,5-Bis(3-methylphenyl)-1,2,4-thiadiazole
CID 12846880
3-(4-Chlorophenyl)-1,2,4-thiadiazol-5-amine
CID 23331270
5-(Chloromethyl)-3-phenyl-1,2,4-thiadiazole
CID 44452479
3-Phenyl-1,2,4-thiadiazole
CID 39680
5-(Dimethylamino)-2-methyl-3-phenyl-1,2,4-thiadiazol-2-ium perchlorate
CID 3235709
5-(2-Fluorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 71454338
N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 2725972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole (CID 20671095) is 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole is Cc1cccc(-c2nsc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is NQMANBSOUSXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3.
What are the key properties of 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole?
5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 210.69 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 20671095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).