(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C19H16N4OS — CID 18841758

IUPAC(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1ccccn1
InChIInChI=1S/C19H16N4OS/c1-22-12-13(14-7-3-4-8-15(14)22)11-16-18(24)23(2)19(25-16)21-17-9-5-6-10-20-17/h3-12H,1-2H3/b16-11-,21-19+
InChIKeyBFZHNPUNCXZNMN-DDRRTAJHSA-N
MW348.43 g/mol
LogP3.81
Rot. Bonds2

About (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841758) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841758
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1ccccn1
InChIInChI=1S/C19H16N4OS/c1-22-12-13(14-7-3-4-8-15(14)22)11-16-18(24)23(2)19(25-16)21-17-9-5-6-10-20-17/h3-12H,1-2H3/b16-11-,21-19+
InChIKeyBFZHNPUNCXZNMN-DDRRTAJHSA-N
XLogP3.81
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135956788
(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841792
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841775
4-[(Z)-[(2E)-3-methyl-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18841767
(5E)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1250058
(2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841735
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841902
(2E,5Z)-3-ethyl-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845856
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
2-[3-[(Z)-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 6058252
(2E,5Z)-3-methyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841798

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841758) is (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1ccccn1.
What is the InChIKey of (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is BFZHNPUNCXZNMN-DDRRTAJHSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-22-12-13(14-7-3-4-8-15(14)22)11-16-18(24)23(2)19(25-16)21-17-9-5-6-10-20-17/h3-12H,1-2H3/b16-11-,21-19+.
What are the key properties of (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).