(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one

C11H9N3OS2 — CID 135959417

IUPAC(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1ccc2nc(/N=C3\NC(=O)CS3)sc2c1
InChIInChI=1S/C11H9N3OS2/c1-6-2-3-7-8(4-6)17-11(12-7)14-10-13-9(15)5-16-10/h2-4H,5H2,1H3,(H,12,13,14,15)
InChIKeyNYYUDTVBIZNUPT-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.46
Rot. Bonds1

About (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 135959417) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID135959417
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1ccc2nc(/N=C3\NC(=O)CS3)sc2c1
InChIInChI=1S/C11H9N3OS2/c1-6-2-3-7-8(4-6)17-11(12-7)14-10-13-9(15)5-16-10/h2-4H,5H2,1H3,(H,12,13,14,15)
InChIKeyNYYUDTVBIZNUPT-UHFFFAOYSA-N
XLogP2.46
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
3-hydroxy-5,5-dimethyl-2-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]cyclohex-2-en-1-one
CID 136644139
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 162663841
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
2-(3,4-dimethylphenyl)-5-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)iminomethyl]-1H-pyrazol-3-one
CID 3116255
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
4,5-dihydroxy-6-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-disulfonic acid
CID 136729284
4-chloro-3-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1-(piperidin-1-ylmethyl)indol-2-one
CID 75178112
3-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1-(morpholin-4-ylmethyl)indol-2-one
CID 75078986
2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
CID 774195

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 135959417) is (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one is Cc1ccc2nc(/N=C3\NC(=O)CS3)sc2c1.
What is the InChIKey of (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is NYYUDTVBIZNUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-6-2-3-7-8(4-6)17-11(12-7)14-10-13-9(15)5-16-10/h2-4H,5H2,1H3,(H,12,13,14,15).
What are the key properties of (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 263.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135959417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).