N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C13H17N3O3S — CID 110888124

IUPACN-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCC(CO)NC(=O)c1ccc(CSc2nccn2C)o1
InChIInChI=1S/C13H17N3O3S/c1-9(7-17)15-12(18)11-4-3-10(19-11)8-20-13-14-5-6-16(13)2/h3-6,9,17H,7-8H2,1-2H3,(H,15,18)
InChIKeyYSHLIRHPAZLOEB-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.42
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 110888124) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID110888124
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCC(CO)NC(=O)c1ccc(CSc2nccn2C)o1
InChIInChI=1S/C13H17N3O3S/c1-9(7-17)15-12(18)11-4-3-10(19-11)8-20-13-14-5-6-16(13)2/h3-6,9,17H,7-8H2,1-2H3,(H,15,18)
InChIKeyYSHLIRHPAZLOEB-UHFFFAOYSA-N
XLogP1.42
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 110888124) is N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is CC(CO)NC(=O)c1ccc(CSc2nccn2C)o1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is YSHLIRHPAZLOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(7-17)15-12(18)11-4-3-10(19-11)8-20-13-14-5-6-16(13)2/h3-6,9,17H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 110888124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).