(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

C12H12N2O3S — CID 56949629

IUPAC(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCC(=O)N1C(=S)NC(=O)[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C12H12N2O3S/c1-7(15)14-10(11(17)13-12(14)18)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6H2,1H3,(H,13,17,18)/t10-/m0/s1
InChIKeySRSVLRLAOSXTGW-JTQLQIEISA-N
MW264.31 g/mol
LogP0.57
Rot. Bonds2

About (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 56949629) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID56949629
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCC(=O)N1C(=S)NC(=O)[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C12H12N2O3S/c1-7(15)14-10(11(17)13-12(14)18)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6H2,1H3,(H,13,17,18)/t10-/m0/s1
InChIKeySRSVLRLAOSXTGW-JTQLQIEISA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(4-hydroxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 854033
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
CID 70583178
(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 142166985
(4R)-2-amino-4-[(4-hydroxyphenyl)methyl]-3-methyl-1,4-dihydroimidazol-3-ium-5-one
CID 7630134
1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one
CID 134839700
2-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-3,6-dioxopiperazin-2-yl]acetic acid
CID 171116511
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 77111233

Frequently Asked Questions

What is the IUPAC name of (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 56949629) is (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is CC(=O)N1C(=S)NC(=O)[C@@H]1Cc1ccc(O)cc1.
What is the InChIKey of (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SRSVLRLAOSXTGW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7(15)14-10(11(17)13-12(14)18)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6H2,1H3,(H,13,17,18)/t10-/m0/s1.
What are the key properties of (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 264.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 56949629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).