4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile

C10H5ClN2S — CID 75465441

IUPAC4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H5ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H
InChIKeyWONOJZYBJGRKIL-UHFFFAOYSA-N
MW220.68 g/mol
LogP3.34
Rot. Bonds1

About 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile

4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile (PubChem CID 75465441) has the molecular formula C10H5ClN2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile
PubChem CID75465441
Molecular FormulaC10H5ClN2S
Molecular Weight220.68 g/mol
Exact Mass219.99
IUPAC Name4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H5ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H
InChIKeyWONOJZYBJGRKIL-UHFFFAOYSA-N
XLogP3.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylphenyl)-1,3-thiazole-2-carbonitrile
CID 116966177
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanenitrile
CID 177341578
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
(E)-3-(4-chloroanilino)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2253295
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile (CID 75465441) is 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile is N#Cc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile?
The InChIKey is WONOJZYBJGRKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H.
What are the key properties of 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile?
4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile has a molecular weight of 220.68 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 75465441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).