N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide

C32H29N3O2S — CID 51064788

IUPACN-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide
SMILESCOc1ccc(CCn2c(-c3ccc(C)cc3)c(NC(=O)c3ccccc3)s/c2=N\c2ccccc2)cc1
InChIInChI=1S/C32H29N3O2S/c1-23-13-17-25(18-14-23)29-31(34-30(36)26-9-5-3-6-10-26)38-32(33-27-11-7-4-8-12-27)35(29)22-21-24-15-19-28(37-2)20-16-24/h3-20H,21-22H2,1-2H3,(H,34,36)/b33-32-
InChIKeyCVKWNPVDZYKOOZ-KARKAFJISA-N
MW519.67 g/mol
LogP7.26
Rot. Bonds8

About N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide

N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide (PubChem CID 51064788) has the molecular formula C32H29N3O2S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide
PubChem CID51064788
Molecular FormulaC32H29N3O2S
Molecular Weight519.67 g/mol
Exact Mass519.20
IUPAC NameN-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide
SMILESCOc1ccc(CCn2c(-c3ccc(C)cc3)c(NC(=O)c3ccccc3)s/c2=N\c2ccccc2)cc1
InChIInChI=1S/C32H29N3O2S/c1-23-13-17-25(18-14-23)29-31(34-30(36)26-9-5-3-6-10-26)38-32(33-27-11-7-4-8-12-27)35(29)22-21-24-15-19-28(37-2)20-16-24/h3-20H,21-22H2,1-2H3,(H,34,36)/b33-32-
InChIKeyCVKWNPVDZYKOOZ-KARKAFJISA-N
XLogP7.26
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide (CID 51064788) is N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide is COc1ccc(CCn2c(-c3ccc(C)cc3)c(NC(=O)c3ccccc3)s/c2=N\c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide?
The InChIKey is CVKWNPVDZYKOOZ-KARKAFJISA-N. The full InChI is InChI=1S/C32H29N3O2S/c1-23-13-17-25(18-14-23)29-31(34-30(36)26-9-5-3-6-10-26)38-32(33-27-11-7-4-8-12-27)35(29)22-21-24-15-19-28(37-2)20-16-24/h3-20H,21-22H2,1-2H3,(H,34,36)/b33-32-.
What are the key properties of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide?
N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide has a molecular weight of 519.67 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 51064788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).