5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide

C12H13F2N3O2S — CID 115668500

IUPAC5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H13F2N3O2S/c13-12(14)20-7-8-1-2-9(19-8)11(18)17-4-3-10-15-5-6-16-10/h1-2,5-6,12H,3-4,7H2,(H,15,16)(H,17,18)
InChIKeyGEMUBGFQUGEAPQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.43
Rot. Bonds7

About 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 115668500) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID115668500
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H13F2N3O2S/c13-12(14)20-7-8-1-2-9(19-8)11(18)17-4-3-10-15-5-6-16-10/h1-2,5-6,12H,3-4,7H2,(H,15,16)(H,17,18)
InChIKeyGEMUBGFQUGEAPQ-UHFFFAOYSA-N
XLogP2.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide (CID 115668500) is 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is GEMUBGFQUGEAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c13-12(14)20-7-8-1-2-9(19-8)11(18)17-4-3-10-15-5-6-16-10/h1-2,5-6,12H,3-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 115668500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).