(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C14H11N3O2S2 — CID 1239803

IUPAC(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1nccs1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)17(13(15)21-11)14-16-6-7-20-14/h2-8,15H,1H3/b11-8-,15-13-
InChIKeyQFIBOOVEZHKUSQ-CGHOMETKSA-N
MW317.39 g/mol
LogP3.21
Rot. Bonds3

About (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1239803) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1239803
Molecular FormulaC14H11N3O2S2
Molecular Weight317.39 g/mol
Exact Mass317.03
IUPAC Name(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1nccs1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)17(13(15)21-11)14-16-6-7-20-14/h2-8,15H,1H3/b11-8-,15-13-
InChIKeyQFIBOOVEZHKUSQ-CGHOMETKSA-N
XLogP3.21
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1239803) is (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is QFIBOOVEZHKUSQ-CGHOMETKSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)17(13(15)21-11)14-16-6-7-20-14/h2-8,15H,1H3/b11-8-,15-13-.
What are the key properties of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 317.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1239803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).