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

C17H10F3N3O2S — CID 47036923

IUPACN-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)c(C(F)(F)F)c1
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)14-5-10(7-21)1-2-11(14)6-13-8-22-16(26-13)23-15(24)12-3-4-25-9-12/h1-5,8-9H,6H2,(H,22,23,24)
InChIKeyBHZWJIPGAWSGFD-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.47
Rot. Bonds4

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

N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 47036923) has the molecular formula C17H10F3N3O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID47036923
Molecular FormulaC17H10F3N3O2S
Molecular Weight377.35 g/mol
Exact Mass377.04
IUPAC NameN-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)c(C(F)(F)F)c1
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)14-5-10(7-21)1-2-11(14)6-13-8-22-16(26-13)23-15(24)12-3-4-25-9-12/h1-5,8-9H,6H2,(H,22,23,24)
InChIKeyBHZWJIPGAWSGFD-UHFFFAOYSA-N
XLogP4.47
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 47036923) is N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide is N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)c(C(F)(F)F)c1.
What is the InChIKey of N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is BHZWJIPGAWSGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S/c18-17(19,20)14-5-10(7-21)1-2-11(14)6-13-8-22-16(26-13)23-15(24)12-3-4-25-9-12/h1-5,8-9H,6H2,(H,22,23,24).
What are the key properties of N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).