(5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one

C11H17N3O2S — CID 59955907

IUPAC(5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)/C(=C2/OCCN2C)N(CC)C1=S
InChIInChI=1S/C11H17N3O2S/c1-4-13-8(10-12(3)6-7-16-10)9(15)14(5-2)11(13)17/h4-7H2,1-3H3/b10-8-
InChIKeyDCJJMVGIXIZNNO-NTMALXAHSA-N
MW255.34 g/mol
LogP0.59
Rot. Bonds2

About (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one

(5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one (PubChem CID 59955907) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one
PubChem CID59955907
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)/C(=C2/OCCN2C)N(CC)C1=S
InChIInChI=1S/C11H17N3O2S/c1-4-13-8(10-12(3)6-7-16-10)9(15)14(5-2)11(13)17/h4-7H2,1-3H3/b10-8-
InChIKeyDCJJMVGIXIZNNO-NTMALXAHSA-N
XLogP0.59
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one (CID 59955907) is (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)/C(=C2/OCCN2C)N(CC)C1=S.
What is the InChIKey of (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DCJJMVGIXIZNNO-NTMALXAHSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-13-8(10-12(3)6-7-16-10)9(15)14(5-2)11(13)17/h4-7H2,1-3H3/b10-8-.
What are the key properties of (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one?
(5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 255.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,3-diethyl-5-(3-methyl-1,3-oxazolidin-2-ylidene)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 59955907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).