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

C19H20F2N4OS — CID 155882961

IUPACN-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide
SMILESCn1cc(C(CCCNC(=O)c2nccs2)c2ccccc2)c(C(F)F)n1
InChIInChI=1S/C19H20F2N4OS/c1-25-12-15(16(24-25)17(20)21)14(13-6-3-2-4-7-13)8-5-9-22-18(26)19-23-10-11-27-19/h2-4,6-7,10-12,14,17H,5,8-9H2,1H3,(H,22,26)
InChIKeySCRRGUULFVKZFJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.16
Rot. Bonds8

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

N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide (PubChem CID 155882961) has the molecular formula C19H20F2N4OS and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide
PubChem CID155882961
Molecular FormulaC19H20F2N4OS
Molecular Weight390.46 g/mol
Exact Mass390.13
IUPAC NameN-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide
SMILESCn1cc(C(CCCNC(=O)c2nccs2)c2ccccc2)c(C(F)F)n1
InChIInChI=1S/C19H20F2N4OS/c1-25-12-15(16(24-25)17(20)21)14(13-6-3-2-4-7-13)8-5-9-22-18(26)19-23-10-11-27-19/h2-4,6-7,10-12,14,17H,5,8-9H2,1H3,(H,22,26)
InChIKeySCRRGUULFVKZFJ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(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
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide
CID 44588939
(2S)-N-[5-(1-methylpyrazol-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 70693017
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
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464877

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide (CID 155882961) is N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide is Cn1cc(C(CCCNC(=O)c2nccs2)c2ccccc2)c(C(F)F)n1.
What is the InChIKey of N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide?
The InChIKey is SCRRGUULFVKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS/c1-25-12-15(16(24-25)17(20)21)14(13-6-3-2-4-7-13)8-5-9-22-18(26)19-23-10-11-27-19/h2-4,6-7,10-12,14,17H,5,8-9H2,1H3,(H,22,26).
What are the key properties of N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide?
N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-phenylbutyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155882961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).