2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one

C11H9N3O2S2 — CID 4976358

IUPAC2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc2ccc(OC)cc2s1
InChIInChI=1S/C11H9N3O2S2/c1-16-6-2-3-7-8(4-6)18-11(13-7)14-9(15)5-17-10(14)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeyRSHZIQUYTOAELG-BENRWUELSA-N
MW279.35 g/mol
LogP2.32
Rot. Bonds2

About 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one

2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 4976358) has the molecular formula C11H9N3O2S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID4976358
Molecular FormulaC11H9N3O2S2
Molecular Weight279.35 g/mol
Exact Mass279.01
IUPAC Name2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc2ccc(OC)cc2s1
InChIInChI=1S/C11H9N3O2S2/c1-16-6-2-3-7-8(4-6)18-11(13-7)14-9(15)5-17-10(14)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeyRSHZIQUYTOAELG-BENRWUELSA-N
XLogP2.32
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one
CID 154675697
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168708570
4-(chloromethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168507489
4-(bromomethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168504168
2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
CID 2328639
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
S-[1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705244
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxyphenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 40612857
4-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168699556
2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4133047
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (CID 4976358) is 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nc2ccc(OC)cc2s1.
What is the InChIKey of 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is RSHZIQUYTOAELG-BENRWUELSA-N. The full InChI is InChI=1S/C11H9N3O2S2/c1-16-6-2-3-7-8(4-6)18-11(13-7)14-9(15)5-17-10(14)12/h2-4,12H,5H2,1H3/b12-10-.
What are the key properties of 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 279.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4976358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).