4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide

C9H10N4O2S — CID 17112519

IUPAC4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(=S)n(Cc2ccco2)c1N
InChIInChI=1S/C9H10N4O2S/c10-7-6(8(11)14)12-9(16)13(7)4-5-2-1-3-15-5/h1-3H,4,10H2,(H2,11,14)(H,12,16)
InChIKeyURSSRWYPCLOJFZ-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.87
Rot. Bonds3

About 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide

4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide (PubChem CID 17112519) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide
PubChem CID17112519
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(=S)n(Cc2ccco2)c1N
InChIInChI=1S/C9H10N4O2S/c10-7-6(8(11)14)12-9(16)13(7)4-5-2-1-3-15-5/h1-3H,4,10H2,(H2,11,14)(H,12,16)
InChIKeyURSSRWYPCLOJFZ-UHFFFAOYSA-N
XLogP0.87
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide?
The IUPAC name of 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide (CID 17112519) is 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c(=S)n(Cc2ccco2)c1N.
What is the InChIKey of 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide?
The InChIKey is URSSRWYPCLOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-7-6(8(11)14)12-9(16)13(7)4-5-2-1-3-15-5/h1-3H,4,10H2,(H2,11,14)(H,12,16).
What are the key properties of 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide?
4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxamide is sourced from PubChem (CID 17112519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).