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

C17H15F3N4OS — CID 155882954

IUPACN-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCn1cc(-c2cc(F)ccc2CCNC(=O)c2nccs2)c(C(F)F)n1
InChIInChI=1S/C17H15F3N4OS/c1-24-9-13(14(23-24)15(19)20)12-8-11(18)3-2-10(12)4-5-21-16(25)17-22-6-7-26-17/h2-3,6-9,15H,4-5H2,1H3,(H,21,25)
InChIKeyNLKFMWYMJXGVJL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.59
Rot. Bonds6

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

N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 155882954) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID155882954
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC NameN-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCn1cc(-c2cc(F)ccc2CCNC(=O)c2nccs2)c(C(F)F)n1
InChIInChI=1S/C17H15F3N4OS/c1-24-9-13(14(23-24)15(19)20)12-8-11(18)3-2-10(12)4-5-21-16(25)17-22-6-7-26-17/h2-3,6-9,15H,4-5H2,1H3,(H,21,25)
InChIKeyNLKFMWYMJXGVJL-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
CID 58464924
(2S)-N-[3-(1-methylpyrazol-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67496991
5-amino-N-(5-(4-aminocyclohexyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 58464763
5-amino-N-(5-((4R,5R)-4-amino-5-fluorocycloheptyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 74983213
5-amino-N-[5-(3,3-difluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983218
5-amino-N-[5-[(4R,5S)-4-amino-5-fluorocycloheptyl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983223
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide
CID 44588939
N-[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-2-[[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]-1,3-thiazole-5-carboxamide
CID 155560224
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464798
(R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazol-1-yl)propyl)-2-(cyanomethyl)thiazole-4-carboxamide
CID 67171219
5-amino-N-(5-cycloheptyl-1-methylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983225

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide (CID 155882954) is N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide is Cn1cc(-c2cc(F)ccc2CCNC(=O)c2nccs2)c(C(F)F)n1.
What is the InChIKey of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NLKFMWYMJXGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-24-9-13(14(23-24)15(19)20)12-8-11(18)3-2-10(12)4-5-21-16(25)17-22-6-7-26-17/h2-3,6-9,15H,4-5H2,1H3,(H,21,25).
What are the key properties of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide?
N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorophenyl]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155882954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).