N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide

C15H8F6N4OS — CID 44588939

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C15H8F6N4OS/c16-14(17,18)10-7-11(15(19,20)21)25(24-10)9-3-1-8(2-4-9)23-12(26)13-22-5-6-27-13/h1-7H,(H,23,26)
InChIKeyMRGMIIPVLMMYJH-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.62
Rot. Bonds3

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 44588939) has the molecular formula C15H8F6N4OS and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID44588939
Molecular FormulaC15H8F6N4OS
Molecular Weight406.31 g/mol
Exact Mass406.03
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C15H8F6N4OS/c16-14(17,18)10-7-11(15(19,20)21)25(24-10)9-3-1-8(2-4-9)23-12(26)13-22-5-6-27-13/h1-7H,(H,23,26)
InChIKeyMRGMIIPVLMMYJH-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 24791869
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 44588938
N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353375
N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353377
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-phenylpropyl) thiazole-2-carboxamide
CID 155882946
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-methylphenethyl) thiazole-2-carboxamide
CID 155882952
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-methylphenethyl) thiazole-2-carboxamide
CID 155882953
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-fluorophenethyl) thiazole-2-carboxamide
CID 155882954
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-phenylbutyl) thiazole-2-carboxamide
CID 155882961
N-(2-(2-methylthiazol-4-yl)phenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 73168693
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9910020
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)-1,3-thiazole-2-carboxamide
CID 44537996

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide (CID 44588939) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is MRGMIIPVLMMYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N4OS/c16-14(17,18)10-7-11(15(19,20)21)25(24-10)9-3-1-8(2-4-9)23-12(26)13-22-5-6-27-13/h1-7H,(H,23,26).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44588939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).