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

C14H11N3OS — CID 135475857

IUPAC(5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C14H11N3OS/c1-15-14-17-13(18)12(19-14)8-9-4-5-11-10(7-9)3-2-6-16-11/h2-8H,1H3,(H,15,17,18)/b12-8-
InChIKeyOTTNNAIKNUBBIR-WQLSENKSSA-N
MW269.33 g/mol
LogP2.42
Rot. Bonds1

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

(5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135475857) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135475857
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name(5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C14H11N3OS/c1-15-14-17-13(18)12(19-14)8-9-4-5-11-10(7-9)3-2-6-16-11/h2-8H,1H3,(H,15,17,18)/b12-8-
InChIKeyOTTNNAIKNUBBIR-WQLSENKSSA-N
XLogP2.42
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135475857) is (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is C/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1.
What is the InChIKey of (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OTTNNAIKNUBBIR-WQLSENKSSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-15-14-17-13(18)12(19-14)8-9-4-5-11-10(7-9)3-2-6-16-11/h2-8H,1H3,(H,15,17,18)/b12-8-.
What are the key properties of (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 269.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135475857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).