(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one

C20H15ClN4O2S — CID 18843433

IUPAC(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N\c1cccnc1Cl
InChIInChI=1S/C20H15ClN4O2S/c1-3-11-25-19(27)16(28-20(25)23-13-8-6-10-22-17(13)21)15-12-7-4-5-9-14(12)24(2)18(15)26/h3-10H,1,11H2,2H3/b16-15-,23-20-
InChIKeyKKZALOUWJWRKSH-KPZWNYGJSA-N
MW410.89 g/mol
LogP3.87
Rot. Bonds3

About (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18843433) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID18843433
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N\c1cccnc1Cl
InChIInChI=1S/C20H15ClN4O2S/c1-3-11-25-19(27)16(28-20(25)23-13-8-6-10-22-17(13)21)15-12-7-4-5-9-14(12)24(2)18(15)26/h3-10H,1,11H2,2H3/b16-15-,23-20-
InChIKeyKKZALOUWJWRKSH-KPZWNYGJSA-N
XLogP3.87
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 136000562
(z)-4-chloro-N-(4-oxo-3-(pyridin-2-ylmethyl)thiazolidin-2-ylidene)benzamide
CID 129833658
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842228
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842331
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842434
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843210
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843211
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843212
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843251
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843313
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843314
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843315

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18843433) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N\c1cccnc1Cl.
What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is KKZALOUWJWRKSH-KPZWNYGJSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-3-11-25-19(27)16(28-20(25)23-13-8-6-10-22-17(13)21)15-12-7-4-5-9-14(12)24(2)18(15)26/h3-10H,1,11H2,2H3/b16-15-,23-20-.
What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 410.89 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).