4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile

C25H15N3S2 — CID 162645716

IUPAC4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C25H15N3S2/c26-14-17-9-11-18(12-10-17)22-15-30-25(27-22)21-8-4-7-20(13-21)23-16-29-24(28-23)19-5-2-1-3-6-19/h1-13,15-16H
InChIKeyNGLJTUAIZBKINM-UHFFFAOYSA-N
MW421.55 g/mol
LogP7.14
Rot. Bonds4

About 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 162645716) has the molecular formula C25H15N3S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID162645716
Molecular FormulaC25H15N3S2
Molecular Weight421.55 g/mol
Exact Mass421.07
IUPAC Name4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C25H15N3S2/c26-14-17-9-11-18(12-10-17)22-15-30-25(27-22)21-8-4-7-20(13-21)23-16-29-24(28-23)19-5-2-1-3-6-19/h1-13,15-16H
InChIKeyNGLJTUAIZBKINM-UHFFFAOYSA-N
XLogP7.14
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
4-[4-(4-Phenyl-1,3-thiazol-2-yl)phenyl]-1,2,3-thiadiazole
CID 2815209
2-Cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 713364
4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
CID 716353
(4-Phenyl-1,3-thiazol-2-yl)acetonitrile
CID 704539
2-[(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 1473456
1,3-Dithiol-2-ylidene(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 2312882
2-Amino-4-[(4-cyanophenyl)methylsulfanyl]-1-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile
CID 4840090
2-Phenyl-4-(4-(trifluoromethyl)phenyl)thiazole
CID 46911999
4-(3,4-Difluorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-thiazole
CID 2742427
Cyclopentylidene-(4-p-tolyl-thiazol-2-yl)-acetonitrile
CID 713367
4-(4-Biphenylyl)-2-methylthiazole
CID 90635

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile (CID 162645716) is 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is NGLJTUAIZBKINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3S2/c26-14-17-9-11-18(12-10-17)22-15-30-25(27-22)21-8-4-7-20(13-21)23-16-29-24(28-23)19-5-2-1-3-6-19/h1-13,15-16H.
What are the key properties of 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 421.55 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 162645716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).