5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile

C9H4ClN3S — CID 164662938

IUPAC5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile
SMILESN#Cc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C9H4ClN3S/c10-7-4-2-1-3-6(7)9-13-12-8(5-11)14-9/h1-4H
InChIKeyYRAZNWYSPWJGTL-UHFFFAOYSA-N
MW221.67 g/mol
LogP2.73
Rot. Bonds1

About 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile

5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile (PubChem CID 164662938) has the molecular formula C9H4ClN3S and a molecular weight of 221.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile
PubChem CID164662938
Molecular FormulaC9H4ClN3S
Molecular Weight221.67 g/mol
Exact Mass220.98
IUPAC Name5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile
SMILESN#Cc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C9H4ClN3S/c10-7-4-2-1-3-6(7)9-13-12-8(5-11)14-9/h1-4H
InChIKeyYRAZNWYSPWJGTL-UHFFFAOYSA-N
XLogP2.73
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-methylamino]propanenitrile
CID 133466855
5-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 13169826
[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioic acid
CID 10827169
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(cyanomethylsulfanyl)acetamide
CID 47382764
2-(2-chlorophenyl)-5-prop-2-ynoxy-1,3,4-thiadiazole
CID 134097618
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133467240
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(methylsulfamoyl)acetamide
CID 131963165
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 43812672
5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 133467477

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile?
The IUPAC name of 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile (CID 164662938) is 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile?
The canonical SMILES for 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile is N#Cc1nnc(-c2ccccc2Cl)s1.
What is the InChIKey of 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile?
The InChIKey is YRAZNWYSPWJGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3S/c10-7-4-2-1-3-6(7)9-13-12-8(5-11)14-9/h1-4H.
What are the key properties of 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile?
5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile has a molecular weight of 221.67 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile is sourced from PubChem (CID 164662938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).