(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C19H14N4OS2 — CID 50739921

IUPAC(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N\c1nccs1
InChIInChI=1S/C19H14N4OS2/c1-2-10-23-17(24)16(26-19(23)22-18-20-9-11-25-18)12-14-8-7-13-5-3-4-6-15(13)21-14/h2-9,11-12H,1,10H2/b16-12-,22-19-
InChIKeyKIDCLDGHKYAXPI-AAMDCLCLSA-N
MW378.48 g/mol
LogP4.48
Rot. Bonds4

About (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 50739921) has the molecular formula C19H14N4OS2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID50739921
Molecular FormulaC19H14N4OS2
Molecular Weight378.48 g/mol
Exact Mass378.06
IUPAC Name(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N\c1nccs1
InChIInChI=1S/C19H14N4OS2/c1-2-10-23-17(24)16(26-19(23)22-18-20-9-11-25-18)12-14-8-7-13-5-3-4-6-15(13)21-14/h2-9,11-12H,1,10H2/b16-12-,22-19-
InChIKeyKIDCLDGHKYAXPI-AAMDCLCLSA-N
XLogP4.48
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 50739921) is (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N\c1nccs1.
What is the InChIKey of (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is KIDCLDGHKYAXPI-AAMDCLCLSA-N. The full InChI is InChI=1S/C19H14N4OS2/c1-2-10-23-17(24)16(26-19(23)22-18-20-9-11-25-18)12-14-8-7-13-5-3-4-6-15(13)21-14/h2-9,11-12H,1,10H2/b16-12-,22-19-.
What are the key properties of (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 50739921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).