3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one

C15H14N2OS2 — CID 4535712

IUPAC3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESCc1cccc(N2C(=O)CN(Cc3cccs3)C2=S)c1
InChIInChI=1S/C15H14N2OS2/c1-11-4-2-5-12(8-11)17-14(18)10-16(15(17)19)9-13-6-3-7-20-13/h2-8H,9-10H2,1H3
InChIKeyNSMQQOWRCRFZBD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.19
Rot. Bonds3

About 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one

3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one (PubChem CID 4535712) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
PubChem CID4535712
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESCc1cccc(N2C(=O)CN(Cc3cccs3)C2=S)c1
InChIInChI=1S/C15H14N2OS2/c1-11-4-2-5-12(8-11)17-14(18)10-16(15(17)19)9-13-6-3-7-20-13/h2-8H,9-10H2,1H3
InChIKeyNSMQQOWRCRFZBD-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one (CID 4535712) is 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one is Cc1cccc(N2C(=O)CN(Cc3cccs3)C2=S)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is NSMQQOWRCRFZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-11-4-2-5-12(8-11)17-14(18)10-16(15(17)19)9-13-6-3-7-20-13/h2-8H,9-10H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 302.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 4535712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).