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

C17H14ClNS — CID 2741264

IUPAC2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C17H14ClNS/c1-11-3-8-15(12(2)9-11)16-10-20-17(19-16)13-4-6-14(18)7-5-13/h3-10H,1-2H3
InChIKeyPFEPDTLNDAEBJL-UHFFFAOYSA-N
MW299.83 g/mol
LogP5.75
Rot. Bonds2

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

2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole (PubChem CID 2741264) has the molecular formula C17H14ClNS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole
PubChem CID2741264
Molecular FormulaC17H14ClNS
Molecular Weight299.83 g/mol
Exact Mass299.05
IUPAC Name2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C17H14ClNS/c1-11-3-8-15(12(2)9-11)16-10-20-17(19-16)13-4-6-14(18)7-5-13/h3-10H,1-2H3
InChIKeyPFEPDTLNDAEBJL-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.83
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole (CID 2741264) is 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole?
The InChIKey is PFEPDTLNDAEBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNS/c1-11-3-8-15(12(2)9-11)16-10-20-17(19-16)13-4-6-14(18)7-5-13/h3-10H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole?
2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole has a molecular weight of 299.83 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2,4-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 2741264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).