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

C20H15N3O2S — CID 135634327

IUPAC(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCOc1cccc(/N=C2\NC(=O)S\C2=C/c2ccc3ncccc3c2)c1
InChIInChI=1S/C20H15N3O2S/c1-25-16-6-2-5-15(12-16)22-19-18(26-20(24)23-19)11-13-7-8-17-14(10-13)4-3-9-21-17/h2-12H,1H3,(H,22,23,24)/b18-11-
InChIKeyBESCUMJSPGIVQR-WQRHYEAKSA-N
MW361.43 g/mol
LogP4.77
Rot. Bonds3

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

(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one (PubChem CID 135634327) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
PubChem CID135634327
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCOc1cccc(/N=C2\NC(=O)S\C2=C/c2ccc3ncccc3c2)c1
InChIInChI=1S/C20H15N3O2S/c1-25-16-6-2-5-15(12-16)22-19-18(26-20(24)23-19)11-13-7-8-17-14(10-13)4-3-9-21-17/h2-12H,1H3,(H,22,23,24)/b18-11-
InChIKeyBESCUMJSPGIVQR-WQRHYEAKSA-N
XLogP4.77
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634506
(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634493
(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
CID 135711713
(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one
CID 135635383
(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135427990
(5E)-5-[[4-[5-(3-methoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212048
5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 173069409
(5E)-2-(2,3-dimethylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745009
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
2-(1H-pyrazol-5-ylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136624407

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one (CID 135634327) is (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one is COc1cccc(/N=C2\NC(=O)S\C2=C/c2ccc3ncccc3c2)c1.
What is the InChIKey of (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one?
The InChIKey is BESCUMJSPGIVQR-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-25-16-6-2-5-15(12-16)22-19-18(26-20(24)23-19)11-13-7-8-17-14(10-13)4-3-9-21-17/h2-12H,1H3,(H,22,23,24)/b18-11-.
What are the key properties of (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one?
(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one has a molecular weight of 361.43 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one is sourced from PubChem (CID 135634327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).