(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one

C19H21N3O3S — CID 2274794

IUPAC(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCCCN1C(=O)/C(=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-2-3-8-22-14-7-5-4-6-13(14)15(18(22)24)16-17(23)20-19(26-16)21-9-11-25-12-10-21/h4-7H,2-3,8-12H2,1H3/b16-15-
InChIKeyTYVYEMOEGXTVQB-NXVVXOECSA-N
MW371.46 g/mol
LogP2.51
Rot. Bonds3

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

(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 2274794) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID2274794
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCCCN1C(=O)/C(=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-2-3-8-22-14-7-5-4-6-13(14)15(18(22)24)16-17(23)20-19(26-16)21-9-11-25-12-10-21/h4-7H,2-3,8-12H2,1H3/b16-15-
InChIKeyTYVYEMOEGXTVQB-NXVVXOECSA-N
XLogP2.51
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.51
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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Related Compounds

5-benzyl-6-hydroxy-3-(2-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135498992
2-{[1-(morpholin-4-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one
CID 63994
(3Z)-3-[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
CID 659003
1-Benzyl-3-(2-morpholin-4-yl-4-oxo-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 1905646
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1960010
2-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 2489391
(3Z)-1-ethyl-3-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5(4H)-ylidene)-1,3-dihydro-2H-indol-2-one
CID 3241647
2-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 5020464
(5Z)-2-(2,3-dimethylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
CID 135426170
(3Z)-1-ethyl-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5(4H)-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1905928
(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 1905581
(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 659554

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (CID 2274794) is (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is CCCCN1C(=O)/C(=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is TYVYEMOEGXTVQB-NXVVXOECSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-3-8-22-14-7-5-4-6-13(14)15(18(22)24)16-17(23)20-19(26-16)21-9-11-25-12-10-21/h4-7H,2-3,8-12H2,1H3/b16-15-.
What are the key properties of (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 371.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 2274794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).