N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H11F5N4OS — CID 51353377

IUPACN-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)F)cc1
InChIInChI=1S/C16H11F5N4OS/c1-8-13(27-7-22-8)15(26)23-9-2-4-10(5-3-9)25-11(14(17)18)6-12(24-25)16(19,20)21/h2-7,14H,1H3,(H,23,26)
InChIKeyAXWNMOKUOCPKID-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.85
Rot. Bonds4

About N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51353377) has the molecular formula C16H11F5N4OS and a molecular weight of 402.35 g/mol. Its IUPAC name is N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51353377
Molecular FormulaC16H11F5N4OS
Molecular Weight402.35 g/mol
Exact Mass402.06
IUPAC NameN-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)F)cc1
InChIInChI=1S/C16H11F5N4OS/c1-8-13(27-7-22-8)15(26)23-9-2-4-10(5-3-9)25-11(14(17)18)6-12(24-25)16(19,20)21/h2-7,14H,1H3,(H,23,26)
InChIKeyAXWNMOKUOCPKID-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 44588938
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 158945515
1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35761971
4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 67113731

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51353377) is N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)F)cc1.
What is the InChIKey of N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AXWNMOKUOCPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4OS/c1-8-13(27-7-22-8)15(26)23-9-2-4-10(5-3-9)25-11(14(17)18)6-12(24-25)16(19,20)21/h2-7,14H,1H3,(H,23,26).
What are the key properties of N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51353377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).