5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine

C36H25Cl2N5S — CID 138756660

IUPAC5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine
SMILESCc1ccc(-c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N=c2sc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C36H25Cl2N5S/c1-24-12-14-25(15-13-24)32-33(26-16-20-28(37)21-17-26)40-42(30-8-4-2-5-9-30)34(32)39-36-43(31-10-6-3-7-11-31)41-35(44-36)27-18-22-29(38)23-19-27/h2-23H,1H3
InChIKeyJCFHMTIJQKUMKO-UHFFFAOYSA-N
MW630.60 g/mol
LogP9.97
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine

5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine (PubChem CID 138756660) has the molecular formula C36H25Cl2N5S and a molecular weight of 630.60 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine
PubChem CID138756660
Molecular FormulaC36H25Cl2N5S
Molecular Weight630.60 g/mol
Exact Mass629.12
IUPAC Name5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine
SMILESCc1ccc(-c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N=c2sc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C36H25Cl2N5S/c1-24-12-14-25(15-13-24)32-33(26-16-20-28(37)21-17-26)40-42(30-8-4-2-5-9-30)34(32)39-36-43(31-10-6-3-7-11-31)41-35(44-36)27-18-22-29(38)23-19-27/h2-23H,1H3
InChIKeyJCFHMTIJQKUMKO-UHFFFAOYSA-N
XLogP9.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.60
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine 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-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(5-(4-fluorophenyl)-3-phenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1-phenyl-1h-pyrazol-5-amine
CID 138756658
4-(4-Chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine
CID 134910080
N-(3,5-diphenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1,3,4-triphenyl-1h-pyrazol-5-amine
CID 138756650
4-(4-chlorophenyl)-N-(3,5-diphenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1,3-diphenyl-1h-pyrazol-5-amine
CID 138756651
N-(3,5-diphenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1,3-diphenyl-4-(p-tolyl)-1h-pyrazol-5-amine
CID 138756652
1,4-diphenyl-N-(3-phenyl-5-(p-tolyl)-1,3,4-thiadiazol-2(3h)-ylidene)-3-(p-tolyl)-1h-pyrazol-5-amine
CID 138756653
3-(4-chlorophenyl)-N-(5-(4-chlorophenyl)-3-phenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1,4-diphenyl-1h-pyrazol-5-amine
CID 138756654
3,4-bis(4-chlorophenyl)-N-(5-(4-chlorophenyl)-3-phenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1-phenyl-1h-pyrazol-5-amine
CID 138756656
4-(4-chlorophenyl)-1-phenyl-N-(3-phenyl-5-(p-tolyl)-1,3,4-thiadiazol-2(3h)-ylidene)-3-(p-tolyl)-1h-pyrazol-5-amine
CID 138756657
3-(3-chlorophenyl)-N-(5-(3-chlorophenyl)-3-phenyl-1,3,4-thiadiazol-2(3h)-ylidene)-1-phenyl-4-(p-tolyl)-1h-pyrazol-5-amine
CID 138756661
3-(4-chlorophenyl)-N-(5-(4-chlorophenyl)-3-phenyl-1,3,4-thiadiazol-2(3h)-ylidene)-4-(4-nitrophenyl)-1-phenyl-1h-pyrazol-5-amine
CID 138756663
N-benzyl-4-[5-(4-chlorophenyl)-2-(3,5-dichlorophenyl)-3,4-dihydropyrazol-3-yl]-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 155810452

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine (CID 138756660) is 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine is Cc1ccc(-c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N=c2sc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine?
The InChIKey is JCFHMTIJQKUMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25Cl2N5S/c1-24-12-14-25(15-13-24)32-33(26-16-20-28(37)21-17-26)40-42(30-8-4-2-5-9-30)34(32)39-36-43(31-10-6-3-7-11-31)41-35(44-36)27-18-22-29(38)23-19-27/h2-23H,1H3.
What are the key properties of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine?
5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine has a molecular weight of 630.60 g/mol, XLogP of 9.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenylpyrazol-5-yl]-3-phenyl-1,3,4-thiadiazol-2-imine is sourced from PubChem (CID 138756660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).