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

C14H12N4O2S2 — CID 137108476

IUPAC5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\NC(=O)C(=Cc2cnc(N)s2)S1
InChIInChI=1S/C14H12N4O2S2/c1-20-10-5-3-2-4-9(10)17-14-18-12(19)11(22-14)6-8-7-16-13(15)21-8/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyFOJLHYYWPFSRIO-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.63
Rot. Bonds3

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

5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137108476) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID137108476
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\NC(=O)C(=Cc2cnc(N)s2)S1
InChIInChI=1S/C14H12N4O2S2/c1-20-10-5-3-2-4-9(10)17-14-18-12(19)11(22-14)6-8-7-16-13(15)21-8/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyFOJLHYYWPFSRIO-UHFFFAOYSA-N
XLogP2.63
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486652
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one
CID 137068891
4-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135955260
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135463935
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135500978
(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one
CID 137099356
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135497528
(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844672
(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135641348

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 137108476) is 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccccc1/N=C1\NC(=O)C(=Cc2cnc(N)s2)S1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is FOJLHYYWPFSRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-20-10-5-3-2-4-9(10)17-14-18-12(19)11(22-14)6-8-7-16-13(15)21-8/h2-7H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 332.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137108476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).