(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

C19H19N3OS — CID 1489912

IUPAC(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)c1ccc(/C=C2\NC(=S)N(Cc3cccnc3)C2=O)cc1
InChIInChI=1S/C19H19N3OS/c1-13(2)16-7-5-14(6-8-16)10-17-18(23)22(19(24)21-17)12-15-4-3-9-20-11-15/h3-11,13H,12H2,1-2H3,(H,21,24)/b17-10-
InChIKeyRHSCZEIOQVQPPO-YVLHZVERSA-N
MW337.45 g/mol
LogP3.46
Rot. Bonds4

About (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 1489912) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID1489912
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)c1ccc(/C=C2\NC(=S)N(Cc3cccnc3)C2=O)cc1
InChIInChI=1S/C19H19N3OS/c1-13(2)16-7-5-14(6-8-16)10-17-18(23)22(19(24)21-17)12-15-4-3-9-20-11-15/h3-11,13H,12H2,1-2H3,(H,21,24)/b17-10-
InChIKeyRHSCZEIOQVQPPO-YVLHZVERSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 1489912) is (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is CC(C)c1ccc(/C=C2\NC(=S)N(Cc3cccnc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RHSCZEIOQVQPPO-YVLHZVERSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(2)16-7-5-14(6-8-16)10-17-18(23)22(19(24)21-17)12-15-4-3-9-20-11-15/h3-11,13H,12H2,1-2H3,(H,21,24)/b17-10-.
What are the key properties of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 1489912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).