N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C9H15N3O3S — CID 103801046

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCSCCCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3S/c13-3-1-4-16-5-2-10-8(14)7-6-11-9(15)12-7/h6,13H,1-5H2,(H,10,14)(H2,11,12,15)
InChIKeyCVCIBANNXSEENP-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.45
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 103801046) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID103801046
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCSCCCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3S/c13-3-1-4-16-5-2-10-8(14)7-6-11-9(15)12-7/h6,13H,1-5H2,(H,10,14)(H2,11,12,15)
InChIKeyCVCIBANNXSEENP-UHFFFAOYSA-N
XLogP-0.45
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 103801046) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCCSCCCO)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is CVCIBANNXSEENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-3-1-4-16-5-2-10-8(14)7-6-11-9(15)12-7/h6,13H,1-5H2,(H,10,14)(H2,11,12,15).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 103801046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).