3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine

C35H25N5S — CID 138756650

IUPAC3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine
SMILESc1ccc(-c2nn(-c3ccccc3)c(=Nc3c(-c4ccccc4)c(-c4ccccc4)nn3-c3ccccc3)s2)cc1
InChIInChI=1S/C35H25N5S/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)37-39(29-22-12-4-13-23-29)33(31)36-35-40(30-24-14-5-15-25-30)38-34(41-35)28-20-10-3-11-21-28/h1-25H
InChIKeyVMSIEPXBGTUUJP-UHFFFAOYSA-N
MW547.69 g/mol
LogP8.35
Rot. Bonds6

About 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine

3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine (PubChem CID 138756650) has the molecular formula C35H25N5S and a molecular weight of 547.69 g/mol. Its IUPAC name is 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine.

Molecular Properties

Compound Name3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine
PubChem CID138756650
Molecular FormulaC35H25N5S
Molecular Weight547.69 g/mol
Exact Mass547.18
IUPAC Name3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine
SMILESc1ccc(-c2nn(-c3ccccc3)c(=Nc3c(-c4ccccc4)c(-c4ccccc4)nn3-c3ccccc3)s2)cc1
InChIInChI=1S/C35H25N5S/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)37-39(29-22-12-4-13-23-29)33(31)36-35-40(30-24-14-5-15-25-30)38-34(41-35)28-20-10-3-11-21-28/h1-25H
InChIKeyVMSIEPXBGTUUJP-UHFFFAOYSA-N
XLogP8.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.69
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile
CID 118730800
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
N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide
CID 52942147
2,4,5-Triphenylpyrazol-3-amine
CID 872600
2-(4-Methylphenyl)-4,6,8,10,12-pentakis-phenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraene
CID 101943497
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
N-(3,5-diphenyl-1,3,4-thiadiazol-2(3h)-ylidene)-4-(4-nitrophenyl)-1,3-diphenyl-1h-pyrazol-5-amine
CID 138756659

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine?
The IUPAC name of 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine (CID 138756650) is 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine.
What is the SMILES notation for 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine?
The canonical SMILES for 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine is c1ccc(-c2nn(-c3ccccc3)c(=Nc3c(-c4ccccc4)c(-c4ccccc4)nn3-c3ccccc3)s2)cc1.
What is the InChIKey of 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine?
The InChIKey is VMSIEPXBGTUUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5S/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)37-39(29-22-12-4-13-23-29)33(31)36-35-40(30-24-14-5-15-25-30)38-34(41-35)28-20-10-3-11-21-28/h1-25H.
What are the key properties of 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine?
3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine has a molecular weight of 547.69 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-N-(1,3,4-triphenylpyrazol-5-yl)-1,3,4-thiadiazol-2-imine is sourced from PubChem (CID 138756650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).