4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine

C15H11ClN2S — CID 2806778

IUPAC4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18)
InChIKeyUZQXZHWTESUSBX-UHFFFAOYSA-N
MW286.79 g/mol
LogP5.21
Rot. Bonds3

About 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2806778) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID2806778
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18)
InChIKeyUZQXZHWTESUSBX-UHFFFAOYSA-N
XLogP5.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.79
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine (CID 2806778) is 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is UZQXZHWTESUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 286.79 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2806778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).