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

C16H16N4O2S — CID 6734546

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(CSc2ccccn2)o1
InChIInChI=1S/C16H16N4O2S/c21-16(19-8-6-12-9-17-11-20-12)14-5-4-13(22-14)10-23-15-3-1-2-7-18-15/h1-5,7,9,11H,6,8,10H2,(H,17,20)(H,19,21)
InChIKeyKMKHLOPEHDYCIV-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.66
Rot. Bonds7

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

N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 6734546) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID6734546
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(CSc2ccccn2)o1
InChIInChI=1S/C16H16N4O2S/c21-16(19-8-6-12-9-17-11-20-12)14-5-4-13(22-14)10-23-15-3-1-2-7-18-15/h1-5,7,9,11H,6,8,10H2,(H,17,20)(H,19,21)
InChIKeyKMKHLOPEHDYCIV-UHFFFAOYSA-N
XLogP2.66
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide (CID 6734546) is N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc(CSc2ccccn2)o1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is KMKHLOPEHDYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(19-8-6-12-9-17-11-20-12)14-5-4-13(22-14)10-23-15-3-1-2-7-18-15/h1-5,7,9,11H,6,8,10H2,(H,17,20)(H,19,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-(pyridin-2-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 6734546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).