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

C17H15ClF2N4OS — CID 155882947

IUPACN-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1nc(C(F)F)c(NC(=O)c2cscn2)c1CCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N4OS/c1-24-13(7-4-10-2-5-11(18)6-3-10)14(15(23-24)16(19)20)22-17(25)12-8-26-9-21-12/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,22,25)
InChIKeyQLVCJROZDZIIEI-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.51
Rot. Bonds6

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

N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 155882947) has the molecular formula C17H15ClF2N4OS and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID155882947
Molecular FormulaC17H15ClF2N4OS
Molecular Weight396.85 g/mol
Exact Mass396.06
IUPAC NameN-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1nc(C(F)F)c(NC(=O)c2cscn2)c1CCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N4OS/c1-24-13(7-4-10-2-5-11(18)6-3-10)14(15(23-24)16(19)20)22-17(25)12-8-26-9-21-12/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,22,25)
InChIKeyQLVCJROZDZIIEI-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-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-phenethylthiazole-4-carboxamide
CID 155882940
2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-phenylpropyl) thiazole-4-carboxamide
CID 155882945
N-(4-chlorophenethyl)-4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-2-carboxamide
CID 155882948
2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-methylphenethyl) thiazole-4-carboxamide
CID 155882950
2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-fluorophenethyl) thiazole-4-carboxamide
CID 155882951
N-(2-chlorophenethyl)-2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-4-carboxamide
CID 155882958
N-(2-chlorophenethyl)-4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-2-carboxamide
CID 155882959
2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-phenylbutyl) thiazole-4-carboxamide
CID 155882960
N-(2,4-dichlorophenethyl)-2-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-4-carboxamide
CID 155882962
N-(2,4-dichlorophenethyl)-4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl) thiazole-2-carboxamide
CID 155882963
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazole-2-carboxamide
CID 44555830
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 44596030

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 155882947) is N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cn1nc(C(F)F)c(NC(=O)c2cscn2)c1CCc1ccc(Cl)cc1.
What is the InChIKey of N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QLVCJROZDZIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4OS/c1-24-13(7-4-10-2-5-11(18)6-3-10)14(15(23-24)16(19)20)22-17(25)12-8-26-9-21-12/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,22,25).
What are the key properties of N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[5-[2-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-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-(4-chlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155882947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).