(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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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).