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

C15H11ClN2S — CID 71504910

IUPAC2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C15H11ClN2S/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyGHFJCYULWKPSAZ-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.83
Rot. Bonds2

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

2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (PubChem CID 71504910) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
PubChem CID71504910
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C15H11ClN2S/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyGHFJCYULWKPSAZ-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
Sbb059609
CID 2769382
2-[(4-Chlorophenyl)methylsulfonylmethyl]-5-phenyl-1,3,4-thiadiazole
CID 42630851
2-(2-Chlorophenyl)-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-thiadiazole
CID 42630852
2-(4-Tert-butylphenyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 2731925
2-(4-Chlorophenyl)-1,3,4-thiadiazole
CID 12480365
2,5-Bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-(1-Chloroethyl)-5-phenyl-1,3,4-thiadiazole
CID 65696074
2-(3-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 44556653
2-(2-Chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 5247654

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (CID 71504910) is 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is GHFJCYULWKPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole has a molecular weight of 286.79 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 71504910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).