N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide

C12H13N3O4S — CID 66150879

IUPACN-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide
SMILESCn1c(CO)cnc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C12H13N3O4S/c1-15-8(6-16)5-13-12(15)20-7-10(17)14-11(18)9-3-2-4-19-9/h2-5,16H,6-7H2,1H3,(H,14,17,18)
InChIKeyJTYJBSNQMOADPX-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.55
Rot. Bonds5

About N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide

N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide (PubChem CID 66150879) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide
PubChem CID66150879
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC NameN-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide
SMILESCn1c(CO)cnc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C12H13N3O4S/c1-15-8(6-16)5-13-12(15)20-7-10(17)14-11(18)9-3-2-4-19-9/h2-5,16H,6-7H2,1H3,(H,14,17,18)
InChIKeyJTYJBSNQMOADPX-UHFFFAOYSA-N
XLogP0.55
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carboxamide
CID 65299602
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 66152095
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-(3,3-dimethylbutyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825249
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300668
N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151271
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
CID 17417257
3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 66150478
N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825232
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide (CID 66150879) is N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide is Cn1c(CO)cnc1SCC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide?
The InChIKey is JTYJBSNQMOADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-15-8(6-16)5-13-12(15)20-7-10(17)14-11(18)9-3-2-4-19-9/h2-5,16H,6-7H2,1H3,(H,14,17,18).
What are the key properties of N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide?
N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide is sourced from PubChem (CID 66150879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).