N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C23H19N3OS — CID 23644855

IUPACN-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C23H19N3OS/c27-23(22-21(25-16-28-22)11-6-17-12-14-24-15-13-17)26-20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-5,7-10,12-16H,6,11H2,(H,26,27)
InChIKeyKWBVYWZQUCAOBE-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.24
Rot. Bonds6

About N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644855) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644855
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C23H19N3OS/c27-23(22-21(25-16-28-22)11-6-17-12-14-24-15-13-17)26-20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-5,7-10,12-16H,6,11H2,(H,26,27)
InChIKeyKWBVYWZQUCAOBE-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644855) is N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KWBVYWZQUCAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-23(22-21(25-16-28-22)11-6-17-12-14-24-15-13-17)26-20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-5,7-10,12-16H,6,11H2,(H,26,27).
What are the key properties of N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).