(5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one

C15H12N2OS — CID 56949627

IUPAC(5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESC/C(=C1/NC(=S)NC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H12N2OS/c1-9(13-14(18)17-15(19)16-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H2,16,17,18,19)/b13-9-
InChIKeyDTUHCBSGXWJLLC-LCYFTJDESA-N
MW268.34 g/mol
LogP2.58
Rot. Bonds1

About (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one (PubChem CID 56949627) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one
PubChem CID56949627
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name(5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESC/C(=C1/NC(=S)NC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H12N2OS/c1-9(13-14(18)17-15(19)16-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H2,16,17,18,19)/b13-9-
InChIKeyDTUHCBSGXWJLLC-LCYFTJDESA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one (CID 56949627) is (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one is C/C(=C1/NC(=S)NC1=O)c1ccc2ccccc2c1.
What is the InChIKey of (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DTUHCBSGXWJLLC-LCYFTJDESA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9(13-14(18)17-15(19)16-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H2,16,17,18,19)/b13-9-.
What are the key properties of (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 268.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-naphthalen-2-ylethylidene)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 56949627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).