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

C14H10BrF3N4O2S — CID 5050597

IUPACN-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ncc(Br)s2)o1
InChIInChI=1S/C14H10BrF3N4O2S/c1-7-4-10(14(16,17)18)21-22(7)6-8-2-3-9(24-8)12(23)20-13-19-5-11(15)25-13/h2-5H,6H2,1H3,(H,19,20,23)
InChIKeyTZAJFYXUZKIBMW-UHFFFAOYSA-N
MW435.23 g/mol
LogP4.32
Rot. Bonds4

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

N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 5050597) has the molecular formula C14H10BrF3N4O2S and a molecular weight of 435.23 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
PubChem CID5050597
Molecular FormulaC14H10BrF3N4O2S
Molecular Weight435.23 g/mol
Exact Mass433.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ncc(Br)s2)o1
InChIInChI=1S/C14H10BrF3N4O2S/c1-7-4-10(14(16,17)18)21-22(7)6-8-2-3-9(24-8)12(23)20-13-19-5-11(15)25-13/h2-5H,6H2,1H3,(H,19,20,23)
InChIKeyTZAJFYXUZKIBMW-UHFFFAOYSA-N
XLogP4.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (CID 5050597) is N-(5-bromo-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-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ncc(Br)s2)o1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is TZAJFYXUZKIBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N4O2S/c1-7-4-10(14(16,17)18)21-22(7)6-8-2-3-9(24-8)12(23)20-13-19-5-11(15)25-13/h2-5H,6H2,1H3,(H,19,20,23).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 435.23 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 5050597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).