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

C16H12F4N4OS — CID 51353375

IUPACN-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2CF)cc1
InChIInChI=1S/C16H12F4N4OS/c1-9-14(26-8-21-9)15(25)22-10-2-4-11(5-3-10)24-12(7-17)6-13(23-24)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeyQFLUJRNSUGGAAG-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.38
Rot. Bonds4

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

N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51353375) has the molecular formula C16H12F4N4OS and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51353375
Molecular FormulaC16H12F4N4OS
Molecular Weight384.36 g/mol
Exact Mass384.07
IUPAC NameN-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2CF)cc1
InChIInChI=1S/C16H12F4N4OS/c1-9-14(26-8-21-9)15(25)22-10-2-4-11(5-3-10)24-12(7-17)6-13(23-24)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeyQFLUJRNSUGGAAG-UHFFFAOYSA-N
XLogP4.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51353375) is N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2CF)cc1.
What is the InChIKey of N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QFLUJRNSUGGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4OS/c1-9-14(26-8-21-9)15(25)22-10-2-4-11(5-3-10)24-12(7-17)6-13(23-24)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25).
What are the key properties of N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51353375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).