N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

C21H18N4OS — CID 17143641

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1
InChIInChI=1S/C21H18N4OS/c1-2-25-14-13-17(24-25)20(26)23-21-22-18(15-9-5-3-6-10-15)19(27-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,22,23,26)
InChIKeyYOUVNLXCMAUZTG-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.95
Rot. Bonds5

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 17143641) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID17143641
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1
InChIInChI=1S/C21H18N4OS/c1-2-25-14-13-17(24-25)20(26)23-21-22-18(15-9-5-3-6-10-15)19(27-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,22,23,26)
InChIKeyYOUVNLXCMAUZTG-UHFFFAOYSA-N
XLogP4.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 998879
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155527522
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-3-methylpyrazole-4-carboxamide;dihydrochloride
CID 155530853
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155564707
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 998685
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 999259
N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 999515
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 4880352
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
N-benzyl-2-(4-benzyl-1H-1,2,3-triazol-1-yl)-4-methylthiazole-5-carboxamide
CID 24957857
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (CID 17143641) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is YOUVNLXCMAUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-2-25-14-13-17(24-25)20(26)23-21-22-18(15-9-5-3-6-10-15)19(27-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,22,23,26).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17143641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).