N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C16H18F2N6OS — CID 24672553

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)n1
InChIInChI=1S/C16H18F2N6OS/c1-9-8-10(2)24(22-9)6-4-12(25)21-16-20-11(3)13(26-16)14-19-5-7-23(14)15(17)18/h5,7-8,15H,4,6H2,1-3H3,(H,20,21,25)
InChIKeyCZFMEIPKOHXWKC-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.55
Rot. Bonds6

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 24672553) has the molecular formula C16H18F2N6OS and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID24672553
Molecular FormulaC16H18F2N6OS
Molecular Weight380.42 g/mol
Exact Mass380.12
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)n1
InChIInChI=1S/C16H18F2N6OS/c1-9-8-10(2)24(22-9)6-4-12(25)21-16-20-11(3)13(26-16)14-19-5-7-23(14)15(17)18/h5,7-8,15H,4,6H2,1-3H3,(H,20,21,25)
InChIKeyCZFMEIPKOHXWKC-UHFFFAOYSA-N
XLogP3.55
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-{1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70710123
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 56741061
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131898205
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 1231848
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31519764
N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70758139
N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 90653066
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 119060339
N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131943742
N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 167992789
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 32236945
2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-4-isopropyl-1,3-thiazole
CID 56740090

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 24672553) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)n1.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is CZFMEIPKOHXWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6OS/c1-9-8-10(2)24(22-9)6-4-12(25)21-16-20-11(3)13(26-16)14-19-5-7-23(14)15(17)18/h5,7-8,15H,4,6H2,1-3H3,(H,20,21,25).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 380.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 24672553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).