N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide

C24H20N2OS — CID 3308072

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H20N2OS/c1-2-17-8-10-20(11-9-17)22-16-28-24(25-22)26-23(27)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26,27)
InChIKeyGIPSQZPSTVNQKC-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.29
Rot. Bonds5

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide (PubChem CID 3308072) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
PubChem CID3308072
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H20N2OS/c1-2-17-8-10-20(11-9-17)22-16-28-24(25-22)26-23(27)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26,27)
InChIKeyGIPSQZPSTVNQKC-UHFFFAOYSA-N
XLogP6.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide (CID 3308072) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide is CCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The InChIKey is GIPSQZPSTVNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-2-17-8-10-20(11-9-17)22-16-28-24(25-22)26-23(27)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide has a molecular weight of 384.50 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 3308072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).