2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one

C13H18N2OS2 — CID 107299016

IUPAC2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CC2CCSC2)s1
InChIInChI=1S/C13H18N2OS2/c1-9-2-3-11(18-9)13-14-6-12(16)15(13)7-10-4-5-17-8-10/h2-3,10,13-14H,4-8H2,1H3
InChIKeyZADVMQZMSMLGJE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one

2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one (PubChem CID 107299016) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
PubChem CID107299016
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CC2CCSC2)s1
InChIInChI=1S/C13H18N2OS2/c1-9-2-3-11(18-9)13-14-6-12(16)15(13)7-10-4-5-17-8-10/h2-3,10,13-14H,4-8H2,1H3
InChIKeyZADVMQZMSMLGJE-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one (CID 107299016) is 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CC2CCSC2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is ZADVMQZMSMLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9-2-3-11(18-9)13-14-6-12(16)15(13)7-10-4-5-17-8-10/h2-3,10,13-14H,4-8H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one?
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 107299016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).