3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile

C11H4ClF3N2S — CID 2781438

IUPAC3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H4ClF3N2S/c12-10-8(5-16)9(18-17-10)6-1-3-7(4-2-6)11(13,14)15/h1-4H
InChIKeyKZRDXXSJKVJZQO-UHFFFAOYSA-N
MW288.68 g/mol
LogP4.35
Rot. Bonds1

About 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile

3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile (PubChem CID 2781438) has the molecular formula C11H4ClF3N2S and a molecular weight of 288.68 g/mol. Its IUPAC name is 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile
PubChem CID2781438
Molecular FormulaC11H4ClF3N2S
Molecular Weight288.68 g/mol
Exact Mass287.97
IUPAC Name3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H4ClF3N2S/c12-10-8(5-16)9(18-17-10)6-1-3-7(4-2-6)11(13,14)15/h1-4H
InChIKeyKZRDXXSJKVJZQO-UHFFFAOYSA-N
XLogP4.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile (CID 2781438) is 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile?
The InChIKey is KZRDXXSJKVJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N2S/c12-10-8(5-16)9(18-17-10)6-1-3-7(4-2-6)11(13,14)15/h1-4H.
What are the key properties of 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile has a molecular weight of 288.68 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 2781438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).