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

C14H9ClN2S — CID 138691135

IUPAC2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole
SMILESClc1ccccc1-c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H9ClN2S/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
InChIKeyYDCSZPYCVCHNNH-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.53
Rot. Bonds2

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

2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 138691135) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID138691135
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole
SMILESClc1ccccc1-c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H9ClN2S/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
InChIKeyYDCSZPYCVCHNNH-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorzolamide
CID 165323
1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine
CID 155538670
1,3,4-Thiadiazole, 2-amino-5-(o-chlorophenyl)-, hydrochloride, hydrate
CID 11971453
Sbb059609
CID 2769382
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511
2-(2-Chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole
CID 42630848
2-(Benzylsulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
CID 42630850

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole (CID 138691135) is 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole is Clc1ccccc1-c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is YDCSZPYCVCHNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole?
2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 272.76 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 138691135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).