N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

C23H22N4OS — CID 55734148

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)Cn1cccn1
InChIInChI=1S/C23H22N4OS/c1-17(16-27-14-8-13-25-27)15-24-22(28)21-20(18-9-4-2-5-10-18)26-23(29-21)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,24,28)
InChIKeyWWNWQOCZIVGAGK-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.74
Rot. Bonds7

About N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 55734148) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID55734148
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)Cn1cccn1
InChIInChI=1S/C23H22N4OS/c1-17(16-27-14-8-13-25-27)15-24-22(28)21-20(18-9-4-2-5-10-18)26-23(29-21)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,24,28)
InChIKeyWWNWQOCZIVGAGK-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 55734148) is N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is CC(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WWNWQOCZIVGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-17(16-27-14-8-13-25-27)15-24-22(28)21-20(18-9-4-2-5-10-18)26-23(29-21)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,24,28).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55734148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).