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

C19H20F2N4OS — CID 155882960

IUPACN-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(C(CCc2ccccc2)CNC(=O)c2cscn2)c(C(F)F)n1
InChIInChI=1S/C19H20F2N4OS/c1-25-10-15(17(24-25)18(20)21)14(8-7-13-5-3-2-4-6-13)9-22-19(26)16-11-27-12-23-16/h2-6,10-12,14,18H,7-9H2,1H3,(H,22,26)
InChIKeyIIOVXJVVGBBCOA-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.96
Rot. Bonds8

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

N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide (PubChem CID 155882960) has the molecular formula C19H20F2N4OS and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide
PubChem CID155882960
Molecular FormulaC19H20F2N4OS
Molecular Weight390.46 g/mol
Exact Mass390.13
IUPAC NameN-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(C(CCc2ccccc2)CNC(=O)c2cscn2)c(C(F)F)n1
InChIInChI=1S/C19H20F2N4OS/c1-25-10-15(17(24-25)18(20)21)14(8-7-13-5-3-2-4-6-13)9-22-19(26)16-11-27-12-23-16/h2-6,10-12,14,18H,7-9H2,1H3,(H,22,26)
InChIKeyIIOVXJVVGBBCOA-UHFFFAOYSA-N
XLogP3.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.96
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
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
(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-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 155754952
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide (CID 155882960) is N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide is Cn1cc(C(CCc2ccccc2)CNC(=O)c2cscn2)c(C(F)F)n1.
What is the InChIKey of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IIOVXJVVGBBCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS/c1-25-10-15(17(24-25)18(20)21)14(8-7-13-5-3-2-4-6-13)9-22-19(26)16-11-27-12-23-16/h2-6,10-12,14,18H,7-9H2,1H3,(H,22,26).
What are the key properties of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide?
N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155882960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).