2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one

C18H19N3O3S — CID 1118412

IUPAC2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one
SMILESCCCN1C(=O)C(=C2SC(N3CCOCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C18H19N3O3S/c1-2-7-21-13-6-4-3-5-12(13)14(17(21)23)15-16(22)19-18(25-15)20-8-10-24-11-9-20/h3-6H,2,7-11H2,1H3
InChIKeyBCENLZOVADKGLP-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.12
Rot. Bonds2

About 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one

2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one (PubChem CID 1118412) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one
PubChem CID1118412
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one
SMILESCCCN1C(=O)C(=C2SC(N3CCOCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C18H19N3O3S/c1-2-7-21-13-6-4-3-5-12(13)14(17(21)23)15-16(22)19-18(25-15)20-8-10-24-11-9-20/h3-6H,2,7-11H2,1H3
InChIKeyBCENLZOVADKGLP-UHFFFAOYSA-N
XLogP2.12
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one?
The IUPAC name of 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one (CID 1118412) is 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one.
What is the SMILES notation for 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one?
The canonical SMILES for 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one is CCCN1C(=O)C(=C2SC(N3CCOCC3)=NC2=O)c2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one?
The InChIKey is BCENLZOVADKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-7-21-13-6-4-3-5-12(13)14(17(21)23)15-16(22)19-18(25-15)20-8-10-24-11-9-20/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one?
2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one has a molecular weight of 357.44 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 1118412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).