(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one

C18H19N3O2S — CID 3241647

IUPAC(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C18H19N3O2S/c1-2-21-13-9-5-4-8-12(13)14(17(21)23)15-16(22)19-18(24-15)20-10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-11H2,1H3/b15-14-
InChIKeyPWMLTDZXAYBHCF-PFONDFGASA-N
MW341.44 g/mol
LogP2.88
Rot. Bonds1

About (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one

(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 3241647) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID3241647
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C18H19N3O2S/c1-2-21-13-9-5-4-8-12(13)14(17(21)23)15-16(22)19-18(24-15)20-10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-11H2,1H3/b15-14-
InChIKeyPWMLTDZXAYBHCF-PFONDFGASA-N
XLogP2.88
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one (CID 3241647) is (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one is CCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is PWMLTDZXAYBHCF-PFONDFGASA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-21-13-9-5-4-8-12(13)14(17(21)23)15-16(22)19-18(24-15)20-10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-11H2,1H3/b15-14-.
What are the key properties of (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 341.44 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 3241647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).