N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine

C21H15ClN2S — CID 3783256

IUPACN-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine
SMILESClc1ccc(Nc2sc(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2S/c22-17-11-13-18(14-12-17)23-21-19(15-7-3-1-4-8-15)24-20(25-21)16-9-5-2-6-10-16/h1-14,23H
InChIKeyMTLNJFQBRIEAOQ-UHFFFAOYSA-N
MW362.89 g/mol
LogP6.87
Rot. Bonds4

About N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine

N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine (PubChem CID 3783256) has the molecular formula C21H15ClN2S and a molecular weight of 362.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine
PubChem CID3783256
Molecular FormulaC21H15ClN2S
Molecular Weight362.89 g/mol
Exact Mass362.06
IUPAC NameN-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine
SMILESClc1ccc(Nc2sc(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2S/c22-17-11-13-18(14-12-17)23-21-19(15-7-3-1-4-8-15)24-20(25-21)16-9-5-2-6-10-16/h1-14,23H
InChIKeyMTLNJFQBRIEAOQ-UHFFFAOYSA-N
XLogP6.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.89
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine (CID 3783256) is N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine is Clc1ccc(Nc2sc(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine?
The InChIKey is MTLNJFQBRIEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2S/c22-17-11-13-18(14-12-17)23-21-19(15-7-3-1-4-8-15)24-20(25-21)16-9-5-2-6-10-16/h1-14,23H.
What are the key properties of N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine?
N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine has a molecular weight of 362.89 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 3783256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).