(5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C21H17N3O2S — CID 135467112

IUPAC(5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C21H17N3O2S/c1-26-18-7-3-2-5-16(18)13-23-21-24-20(25)19(27-21)12-14-8-9-17-15(11-14)6-4-10-22-17/h2-12H,13H2,1H3,(H,23,24,25)/b19-12-
InChIKeyAFDVSCYTWJLQJA-UNOMPAQXSA-N
MW375.45 g/mol
LogP4.00
Rot. Bonds4

About (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135467112) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135467112
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name(5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C21H17N3O2S/c1-26-18-7-3-2-5-16(18)13-23-21-24-20(25)19(27-21)12-14-8-9-17-15(11-14)6-4-10-22-17/h2-12H,13H2,1H3,(H,23,24,25)/b19-12-
InChIKeyAFDVSCYTWJLQJA-UNOMPAQXSA-N
XLogP4.00
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Sdccgrch-0000117.P001
CID 135400835
Sdccgrch-0000049.P001
CID 135424857
Sdccgrch-0000177.P001
CID 135428197
Sdccgrch-0000162.P001
CID 135487537
(6Z)-5-imino-2-methyl-6-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 6052797
(6E)-5-imino-2-methyl-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 6396876
Sdccgrch-0000139.P001
CID 136060593
3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925443
2-[2-(2-Methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136152797
6-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-4-(2,2,2-trifluoroethoxy)quinoline-3-carbonitrile
CID 11581652
6-[2-Amino-4-oxo-4h-thiazol-(5z)-ylidenemethyl]-4-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-quinoline-3-carbonitrile
CID 11669484
6-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-4-(1,1,1-trifluoropropan-2-yloxy)quinoline-3-carbonitrile
CID 58585839

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135467112) is (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is COc1ccccc1C/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1.
What is the InChIKey of (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is AFDVSCYTWJLQJA-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-18-7-3-2-5-16(18)13-23-21-24-20(25)19(27-21)12-14-8-9-17-15(11-14)6-4-10-22-17/h2-12H,13H2,1H3,(H,23,24,25)/b19-12-.
What are the key properties of (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 375.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-methoxyphenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135467112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).