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

C13H9N3OS — CID 168510639

IUPAC(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccc3ncccc3c2)S1
InChIInChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)/b11-7+
InChIKeyGWSGFSPSQGXVFI-YRNVUSSQSA-N
MW255.30 g/mol
LogP2.37
Rot. Bonds1

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

(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 168510639) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID168510639
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccc3ncccc3c2)S1
InChIInChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)/b11-7+
InChIKeyGWSGFSPSQGXVFI-YRNVUSSQSA-N
XLogP2.37
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 173069409
2-(1H-pyrazol-5-ylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136624407
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
2-[(2-chloro-3-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136659589
2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 171128800
(5Z)-2-(oxan-4-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452411
2-[(3,5-dichloro-4-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136649408
2-(2-hydroxypropylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136510788
(5E)-2-(2,3-dimethylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745009
(5Z)-5-(quinolin-6-ylmethylidene)-2-(thian-4-ylmethylimino)-1,3-thiazolidin-4-one
CID 135468701
(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135400873
(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135430169

Frequently Asked Questions

What is the IUPAC name of (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 168510639) is (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)/C(=C\c2ccc3ncccc3c2)S1.
What is the InChIKey of (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GWSGFSPSQGXVFI-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)/b11-7+.
What are the key properties of (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 255.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 168510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).