2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C24H21N3OS — CID 70789359

IUPAC2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(CNc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H21N3OS/c1-17-11-13-18(14-12-17)15-25-21-10-6-5-9-20(21)23(28)27-24-26-22(16-29-24)19-7-3-2-4-8-19/h2-14,16,25H,15H2,1H3,(H,26,27,28)
InChIKeyJYDMICLEWULGCS-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.98
Rot. Bonds6

About 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 70789359) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID70789359
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(CNc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H21N3OS/c1-17-11-13-18(14-12-17)15-25-21-10-6-5-9-20(21)23(28)27-24-26-22(16-29-24)19-7-3-2-4-8-19/h2-14,16,25H,15H2,1H3,(H,26,27,28)
InChIKeyJYDMICLEWULGCS-UHFFFAOYSA-N
XLogP5.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 70789359) is 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(CNc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JYDMICLEWULGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-17-11-13-18(14-12-17)15-25-21-10-6-5-9-20(21)23(28)27-24-26-22(16-29-24)19-7-3-2-4-8-19/h2-14,16,25H,15H2,1H3,(H,26,27,28).
What are the key properties of 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 399.52 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70789359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).