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

C18H18F2N4OS — CID 155882953

IUPACN-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2nccs2)c(-c2cn(C)nc2C(F)F)c1
InChIInChI=1S/C18H18F2N4OS/c1-11-3-4-12(5-6-21-17(25)18-22-7-8-26-18)13(9-11)14-10-24(2)23-15(14)16(19)20/h3-4,7-10,16H,5-6H2,1-2H3,(H,21,25)
InChIKeyYAVWMJRDKGFOLI-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.76
Rot. Bonds6

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

N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 155882953) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID155882953
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC NameN-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2nccs2)c(-c2cn(C)nc2C(F)F)c1
InChIInChI=1S/C18H18F2N4OS/c1-11-3-4-12(5-6-21-17(25)18-22-7-8-26-18)13(9-11)14-10-24(2)23-15(14)16(19)20/h3-4,7-10,16H,5-6H2,1-2H3,(H,21,25)
InChIKeyYAVWMJRDKGFOLI-UHFFFAOYSA-N
XLogP3.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(1-methylpyrazol-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67496991
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide
CID 44588939
(R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazol-1-yl)propyl)-2-(cyanomethyl)thiazole-4-carboxamide
CID 67171219
US9670157, 83 1-(2-Phenyl-thiazol-4-ylmethyl)-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 90280225
US10100046, Example 21
CID 118632921
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 147340712
N-(1-(1-(2,4-bis(trifluoromethyl)phenyl)ethyl)-1H-pyrazol-4-yl)-2-(pridin-2-yl)thiazole-5-carboxamide
CID 147340714
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 147900880
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 147900882
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 152797761
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 152797762
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 153159935

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide (CID 155882953) is N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide is Cc1ccc(CCNC(=O)c2nccs2)c(-c2cn(C)nc2C(F)F)c1.
What is the InChIKey of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YAVWMJRDKGFOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-11-3-4-12(5-6-21-17(25)18-22-7-8-26-18)13(9-11)14-10-24(2)23-15(14)16(19)20/h3-4,7-10,16H,5-6H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
N-[2-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.76, 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-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155882953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).