2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one

C8H8N2OS2 — CID 57392212

IUPAC2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESO=C1NC(=S)NC1Cc1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,6H,4H2,(H2,9,10,11,12)
InChIKeyGYEKTSIBYTYVCY-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.66
Rot. Bonds2

About 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one

2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one (PubChem CID 57392212) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one
PubChem CID57392212
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESO=C1NC(=S)NC1Cc1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,6H,4H2,(H2,9,10,11,12)
InChIKeyGYEKTSIBYTYVCY-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-amino-N-(cyanomethyl)-3-(thiophen-2-yl)propanamide
CID 46883395
N-{[(2-oxotetrahydro-3-thienyl)amino]carbonothioyl}-2-thiophenecarboxamide
CID 2908370
5-(Thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 11084774
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 53523931
1-[1-(3-Thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 56816286
1-[1-(3-Thiophen-2-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821796
5-(5-Thiophen-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 57390260
5-(5-Methylthiophen-2-yl)imidazolidine-2,4-dione
CID 57392046
(S)-2-((R)-2-Acetylamino-3-mercapto-propionylamino)-3-thiophen-2-yl-propionamide
CID 44299733
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1-(2-methylsulfanylacetyl)-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
CID 7127933
(2S,3S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1-(2-methylsulfanylacetyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide
CID 11882062
N-[(2S)-2-pyrrolidin-1-ylpropyl]-3-thiophen-2-ylpropanamide
CID 93630057

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one (CID 57392212) is 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one is O=C1NC(=S)NC1Cc1cccs1.
What is the InChIKey of 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is GYEKTSIBYTYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,6H,4H2,(H2,9,10,11,12).
What are the key properties of 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one?
2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 212.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-(thiophen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 57392212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).