N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide

C17H15ClF2N4OS — CID 155882959

IUPACN-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)F)c(NC(=O)c2nccs2)c1CCc1ccccc1Cl
InChIInChI=1S/C17H15ClF2N4OS/c1-24-12(7-6-10-4-2-3-5-11(10)18)13(14(23-24)15(19)20)22-16(25)17-21-8-9-26-17/h2-5,8-9,15H,6-7H2,1H3,(H,22,25)
InChIKeyZKQQNBHFRAYNPJ-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.51
Rot. Bonds6

About N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide

N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide (PubChem CID 155882959) has the molecular formula C17H15ClF2N4OS and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide
PubChem CID155882959
Molecular FormulaC17H15ClF2N4OS
Molecular Weight396.85 g/mol
Exact Mass396.06
IUPAC NameN-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)F)c(NC(=O)c2nccs2)c1CCc1ccccc1Cl
InChIInChI=1S/C17H15ClF2N4OS/c1-24-12(7-6-10-4-2-3-5-11(10)18)13(14(23-24)15(19)20)22-16(25)17-21-8-9-26-17/h2-5,8-9,15H,6-7H2,1H3,(H,22,25)
InChIKeyZKQQNBHFRAYNPJ-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-N-{2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-5-yl)}carboxamide
CID 68062335
(3R)-3-[[2-[4-(3-chloro-4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]acetyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455963
2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-phenethylthiazole-4-carboxamide
CID 155882940
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-phenylpropyl) thiazole-2-carboxamide
CID 155882946
N-(4-chlorophenethyl)-2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-4-carboxamide
CID 155882947
N-(4-chlorophenethyl)-4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-2-carboxamide
CID 155882948
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-methylphenethyl) thiazole-2-carboxamide
CID 155882952
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-methylphenethyl) thiazole-2-carboxamide
CID 155882953
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-fluorophenethyl) thiazole-2-carboxamide
CID 155882954
N-(2-chlorophenethyl)-2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-4-carboxamide
CID 155882958
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-phenylbutyl) thiazole-2-carboxamide
CID 155882961
N-(2,4-dichlorophenethyl)-2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-4-carboxamide
CID 155882962

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide (CID 155882959) is N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide is Cn1nc(C(F)F)c(NC(=O)c2nccs2)c1CCc1ccccc1Cl.
What is the InChIKey of N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is ZKQQNBHFRAYNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4OS/c1-24-12(7-6-10-4-2-3-5-11(10)18)13(14(23-24)15(19)20)22-16(25)17-21-8-9-26-17/h2-5,8-9,15H,6-7H2,1H3,(H,22,25).
What are the key properties of N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155882959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).