(5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one

C19H15N3OS2 — CID 135428190

IUPAC(5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2cccs2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H15N3OS2/c23-18-17(12-13-5-6-16-14(11-13)3-1-8-20-16)25-19(22-18)21-9-7-15-4-2-10-24-15/h1-6,8,10-12H,7,9H2,(H,21,22,23)/b17-12-
InChIKeyCCDRMKVPDCRBEF-ATVHPVEESA-N
MW365.48 g/mol
LogP4.10
Rot. Bonds4

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

(5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one (PubChem CID 135428190) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one
PubChem CID135428190
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name(5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2cccs2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H15N3OS2/c23-18-17(12-13-5-6-16-14(11-13)3-1-8-20-16)25-19(22-18)21-9-7-15-4-2-10-24-15/h1-6,8,10-12H,7,9H2,(H,21,22,23)/b17-12-
InChIKeyCCDRMKVPDCRBEF-ATVHPVEESA-N
XLogP4.10
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.10
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one (CID 135428190) is (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one is O=C1N/C(=N\CCc2cccs2)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one?
The InChIKey is CCDRMKVPDCRBEF-ATVHPVEESA-N. The full InChI is InChI=1S/C19H15N3OS2/c23-18-17(12-13-5-6-16-14(11-13)3-1-8-20-16)25-19(22-18)21-9-7-15-4-2-10-24-15/h1-6,8,10-12H,7,9H2,(H,21,22,23)/b17-12-.
What are the key properties of (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one?
(5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one has a molecular weight of 365.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(quinolin-6-ylmethylidene)-2-(2-thiophen-2-ylethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135428190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).