2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine

C29H23ClN2OS — CID 90362651

IUPAC2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C29H23ClN2OS/c1-20-8-14-24(15-9-20)32(25-16-18-26(33-2)19-17-25)29-27(21-6-4-3-5-7-21)31-28(34-29)22-10-12-23(30)13-11-22/h3-19H,1-2H3
InChIKeyYUTUUVHEWPUUAO-UHFFFAOYSA-N
MW483.04 g/mol
LogP8.92
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine

2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine (PubChem CID 90362651) has the molecular formula C29H23ClN2OS and a molecular weight of 483.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine
PubChem CID90362651
Molecular FormulaC29H23ClN2OS
Molecular Weight483.04 g/mol
Exact Mass482.12
IUPAC Name2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C29H23ClN2OS/c1-20-8-14-24(15-9-20)32(25-16-18-26(33-2)19-17-25)29-27(21-6-4-3-5-7-21)31-28(34-29)22-10-12-23(30)13-11-22/h3-19H,1-2H3
InChIKeyYUTUUVHEWPUUAO-UHFFFAOYSA-N
XLogP8.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.04
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine (CID 90362651) is 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine is COc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine?
The InChIKey is YUTUUVHEWPUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2OS/c1-20-8-14-24(15-9-20)32(25-16-18-26(33-2)19-17-25)29-27(21-6-4-3-5-7-21)31-28(34-29)22-10-12-23(30)13-11-22/h3-19H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine?
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine has a molecular weight of 483.04 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 90362651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).