(5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C22H25N3O3S2 — CID 23473556

IUPAC(5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S
InChIInChI=1S/C22H25N3O3S2/c1-15-5-3-6-16-13-17(20(23-19(15)16)24-8-11-28-12-9-24)14-18-21(26)25(22(29)30-18)7-4-10-27-2/h3,5-6,13-14H,4,7-12H2,1-2H3/b18-14-
InChIKeyRCVJKDKPIOPGFA-JXAWBTAJSA-N
MW443.59 g/mol
LogP3.62
Rot. Bonds6

About (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 23473556) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID23473556
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name(5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S
InChIInChI=1S/C22H25N3O3S2/c1-15-5-3-6-16-13-17(20(23-19(15)16)24-8-11-28-12-9-24)14-18-21(26)25(22(29)30-18)7-4-10-27-2/h3,5-6,13-14H,4,7-12H2,1-2H3/b18-14-
InChIKeyRCVJKDKPIOPGFA-JXAWBTAJSA-N
XLogP3.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5Z)-3-(3-ethoxypropyl)-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473510
(5Z)-3-(2-methoxyethyl)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 8721860
(5Z)-3-butan-2-yl-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473547
(5Z)-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473520
ethyl 1-[3-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxylate
CID 23473710
(5Z)-3-[(4-methylphenyl)methyl]-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473514
(5Z)-3-(3-methoxypropyl)-5-[(6-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473480
3-(3-methoxypropyl)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3146791
ethyl 1-[8-methyl-3-[(Z)-[4-oxo-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxylate
CID 23473723
(5Z)-3-(3-methoxypropyl)-5-[[6-methyl-2-(4-methylpiperidin-1-yl)quinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473661
(5E)-3-(3-methoxypropyl)-5-(quinolin-8-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 31263434
(5Z)-3-(furan-2-ylmethyl)-5-[[8-methyl-2-(4-methylpiperidin-1-yl)quinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473638

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 23473556) is (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S.
What is the InChIKey of (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RCVJKDKPIOPGFA-JXAWBTAJSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-15-5-3-6-16-13-17(20(23-19(15)16)24-8-11-28-12-9-24)14-18-21(26)25(22(29)30-18)7-4-10-27-2/h3,5-6,13-14H,4,7-12H2,1-2H3/b18-14-.
What are the key properties of (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 443.59 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-methoxypropyl)-5-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 23473556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).