1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one

C11H11N3OS — CID 59636211

IUPAC1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
SMILESCC1CN(c2ccc3ncsc3c2)C(=O)N1
InChIInChI=1S/C11H11N3OS/c1-7-5-14(11(15)13-7)8-2-3-9-10(4-8)16-6-12-9/h2-4,6-7H,5H2,1H3,(H,13,15)
InChIKeyOMYPWNYFRGAFIT-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.21
Rot. Bonds1

About 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one

1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one (PubChem CID 59636211) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
PubChem CID59636211
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
SMILESCC1CN(c2ccc3ncsc3c2)C(=O)N1
InChIInChI=1S/C11H11N3OS/c1-7-5-14(11(15)13-7)8-2-3-9-10(4-8)16-6-12-9/h2-4,6-7H,5H2,1H3,(H,13,15)
InChIKeyOMYPWNYFRGAFIT-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
CID 114002787
1-(1,3-benzothiazol-6-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 107806718
(3aS,4R,7S,7aR)-2-(1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 68539749
1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one
CID 107801589
1-(1,3-benzothiazol-6-yl)-3,3,6-trimethylpiperazine-2,5-dione
CID 107806707
6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole
CID 107806691
5-amino-2-(1,3-benzothiazol-6-yl)-4H-pyrazol-3-one
CID 96599066
1-(1,3-benzothiazol-6-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 107802173
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-benzothiazole
CID 107806626
methyl 1-(1,3-benzothiazol-6-yl)azetidine-2-carboxylate
CID 107802150
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one (CID 59636211) is 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one is CC1CN(c2ccc3ncsc3c2)C(=O)N1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one?
The InChIKey is OMYPWNYFRGAFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-5-14(11(15)13-7)8-2-3-9-10(4-8)16-6-12-9/h2-4,6-7H,5H2,1H3,(H,13,15).
What are the key properties of 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one?
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one has a molecular weight of 233.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 59636211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).