N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide

C17H15F3N4O3S — CID 22331944

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)nc1C
InChIInChI=1S/C17H15F3N4O3S/c1-8-6-13(17(18,19)20)23-24(8)7-11-4-5-12(27-11)15(26)22-16-21-9(2)14(28-16)10(3)25/h4-6H,7H2,1-3H3,(H,21,22,26)
InChIKeyJLJZOYIXFFIYFP-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.07
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 22331944) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
PubChem CID22331944
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)nc1C
InChIInChI=1S/C17H15F3N4O3S/c1-8-6-13(17(18,19)20)23-24(8)7-11-4-5-12(27-11)15(26)22-16-21-9(2)14(28-16)10(3)25/h4-6H,7H2,1-3H3,(H,21,22,26)
InChIKeyJLJZOYIXFFIYFP-UHFFFAOYSA-N
XLogP4.07
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (CID 22331944) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is CC(=O)c1sc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is JLJZOYIXFFIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c1-8-6-13(17(18,19)20)23-24(8)7-11-4-5-12(27-11)15(26)22-16-21-9(2)14(28-16)10(3)25/h4-6H,7H2,1-3H3,(H,21,22,26).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 412.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 22331944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).