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

C18H10N4S2 — CID 2742421

IUPAC4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C18H10N4S2/c19-9-12-1-3-13(4-2-12)16-10-23-18(20-16)15-7-5-14(6-8-15)17-11-24-22-21-17/h1-8,10-11H
InChIKeyHETJZTQPCCIZDW-UHFFFAOYSA-N
MW346.44 g/mol
LogP4.87
Rot. Bonds3

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

4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 2742421) has the molecular formula C18H10N4S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID2742421
Molecular FormulaC18H10N4S2
Molecular Weight346.44 g/mol
Exact Mass346.03
IUPAC Name4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C18H10N4S2/c19-9-12-1-3-13(4-2-12)16-10-23-18(20-16)15-7-5-14(6-8-15)17-11-24-22-21-17/h1-8,10-11H
InChIKeyHETJZTQPCCIZDW-UHFFFAOYSA-N
XLogP4.87
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1,3-Dithiol-2-ylidene(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 2312882
Cyclopentylidene-(4-p-tolyl-thiazol-2-yl)-acetonitrile
CID 713367
4-(4-Biphenylyl)-2-methylthiazole
CID 90635
4-(4-Methylphenyl)-2-phenyl-1,3-thiazole
CID 715103
(E)-2-(4-phenylthiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile
CID 5719252
4-Phenyl-2-(p-tolyl)thiazole
CID 12411172
(4-(4-Methylphenyl)-1,3-thiazol-2-YL)acetonitrile
CID 2742455
4-[2-(Cyanomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 2742456
(2E)-2-(4-[1,1'-biphenyl]-4-yl-1,3-thiazol-2-yl)-3-(4-methylphenyl)-2-propenenitrile
CID 5331845

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile (CID 2742421) is 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1.
What is the InChIKey of 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is HETJZTQPCCIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4S2/c19-9-12-1-3-13(4-2-12)16-10-23-18(20-16)15-7-5-14(6-8-15)17-11-24-22-21-17/h1-8,10-11H.
What are the key properties of 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 346.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 2742421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).