N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide

C14H9F3N4O3S — CID 166386467

IUPACN-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(CNC(=O)C(F)(F)F)o1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)13(23)18-6-7-4-5-10(24-7)12(22)19-8-2-1-3-9-11(8)21-25-20-9/h1-5H,6H2,(H,18,23)(H,19,22)
InChIKeyRAUIQKGVUJYOJN-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.72
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide (PubChem CID 166386467) has the molecular formula C14H9F3N4O3S and a molecular weight of 370.31 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide
PubChem CID166386467
Molecular FormulaC14H9F3N4O3S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(CNC(=O)C(F)(F)F)o1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)13(23)18-6-7-4-5-10(24-7)12(22)19-8-2-1-3-9-11(8)21-25-20-9/h1-5H,6H2,(H,18,23)(H,19,22)
InChIKeyRAUIQKGVUJYOJN-UHFFFAOYSA-N
XLogP2.72
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide (CID 166386467) is N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc(CNC(=O)C(F)(F)F)o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide?
The InChIKey is RAUIQKGVUJYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3S/c15-14(16,17)13(23)18-6-7-4-5-10(24-7)12(22)19-8-2-1-3-9-11(8)21-25-20-9/h1-5H,6H2,(H,18,23)(H,19,22).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 166386467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).