2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile

C32H21N5S — CID 118730800

IUPAC2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=c1\sc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C32H21N5S/c33-22-28-27(23-13-5-1-6-14-23)21-29(24-15-7-2-8-16-24)34-30(28)35-32-37(26-19-11-4-12-20-26)36-31(38-32)25-17-9-3-10-18-25/h1-21H/b35-32-
InChIKeyWAZQZUKFUKNEKL-JCUPVDEDSA-N
MW507.62 g/mol
LogP7.43
Rot. Bonds5

About 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile

2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 118730800) has the molecular formula C32H21N5S and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile
PubChem CID118730800
Molecular FormulaC32H21N5S
Molecular Weight507.62 g/mol
Exact Mass507.15
IUPAC Name2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=c1\sc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C32H21N5S/c33-22-28-27(23-13-5-1-6-14-23)21-29(24-15-7-2-8-16-24)34-30(28)35-32-37(26-19-11-4-12-20-26)36-31(38-32)25-17-9-3-10-18-25/h1-21H/b35-32-
InChIKeyWAZQZUKFUKNEKL-JCUPVDEDSA-N
XLogP7.43
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile (CID 118730800) is 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=c1\sc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is WAZQZUKFUKNEKL-JCUPVDEDSA-N. The full InChI is InChI=1S/C32H21N5S/c33-22-28-27(23-13-5-1-6-14-23)21-29(24-15-7-2-8-16-24)34-30(28)35-32-37(26-19-11-4-12-20-26)36-31(38-32)25-17-9-3-10-18-25/h1-21H/b35-32-.
What are the key properties of 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile?
2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 507.62 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)amino]-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 118730800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).