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

C13H17N3O2S — CID 91794866

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)c2ncc(C)[nH]2)o1
InChIInChI=1S/C13H17N3O2S/c1-8-6-14-12(15-8)9(2)16-13(17)11-5-4-10(18-11)7-19-3/h4-6,9H,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXKTYXMYNJAVOFT-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.67
Rot. Bonds5

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

N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 91794866) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID91794866
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)c2ncc(C)[nH]2)o1
InChIInChI=1S/C13H17N3O2S/c1-8-6-14-12(15-8)9(2)16-13(17)11-5-4-10(18-11)7-19-3/h4-6,9H,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXKTYXMYNJAVOFT-UHFFFAOYSA-N
XLogP2.67
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 91794866) is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)NC(C)c2ncc(C)[nH]2)o1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is XKTYXMYNJAVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-6-14-12(15-8)9(2)16-13(17)11-5-4-10(18-11)7-19-3/h4-6,9H,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 91794866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).