4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide

C15H9F5N4OS — CID 66778943

IUPAC4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1c(F)cccc1F
InChIInChI=1S/C15H9F5N4OS/c1-24-8(5-9(23-24)15(18,19)20)12-11(22-14(26-12)13(21)25)10-6(16)3-2-4-7(10)17/h2-5H,1H3,(H2,21,25)
InChIKeyZJAHVNSYURRGBF-UHFFFAOYSA-N
MW388.32 g/mol
LogP3.61
Rot. Bonds3

About 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide

4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (PubChem CID 66778943) has the molecular formula C15H9F5N4OS and a molecular weight of 388.32 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
PubChem CID66778943
Molecular FormulaC15H9F5N4OS
Molecular Weight388.32 g/mol
Exact Mass388.04
IUPAC Name4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1c(F)cccc1F
InChIInChI=1S/C15H9F5N4OS/c1-24-8(5-9(23-24)15(18,19)20)12-11(22-14(26-12)13(21)25)10-6(16)3-2-4-7(10)17/h2-5H,1H3,(H2,21,25)
InChIKeyZJAHVNSYURRGBF-UHFFFAOYSA-N
XLogP3.61
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (CID 66778943) is 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is ZJAHVNSYURRGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N4OS/c1-24-8(5-9(23-24)15(18,19)20)12-11(22-14(26-12)13(21)25)10-6(16)3-2-4-7(10)17/h2-5H,1H3,(H2,21,25).
What are the key properties of 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 388.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66778943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).