N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

C17H18N4OS — CID 42956259

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2csc(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C17H18N4OS/c1-11(14-9-18-21(3)12(14)2)19-16(22)15-10-23-17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyVYOWPTRXVXLUCV-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 42956259) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID42956259
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2csc(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C17H18N4OS/c1-11(14-9-18-21(3)12(14)2)19-16(22)15-10-23-17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyVYOWPTRXVXLUCV-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482665
5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291
N-[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-2-[[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]-1,3-thiazole-5-carboxamide
CID 139030330
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71505323
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
CID 58464924
1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 24791640
N-benzyl-2-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methylthiazole-5-carboxamide
CID 24962977
(2S)-3-phenyl-N-[3-(1H-pyrazol-4-yl)phenyl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67495836
(2S)-N-(3-(1H-pyrazol-3-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
CID 67496810
(2S)-N-[3-(1-methylpyrazol-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67496991
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 70692367

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 42956259) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1c(C(C)NC(=O)c2csc(-c3ccccc3)n2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is VYOWPTRXVXLUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(14-9-18-21(3)12(14)2)19-16(22)15-10-23-17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42956259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).