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

C11H11N3O2S — CID 70624053

IUPAC3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2nc3ccccc3s2)C1=O
InChIInChI=1S/C11H11N3O2S/c1-13-6-9(15)14(11(13)16)10-12-7-4-2-3-5-8(7)17-10/h2-5,9,15H,6H2,1H3
InChIKeyBTYJRNGHALQYCA-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.49
Rot. Bonds1

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

3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one (PubChem CID 70624053) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
PubChem CID70624053
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2nc3ccccc3s2)C1=O
InChIInChI=1S/C11H11N3O2S/c1-13-6-9(15)14(11(13)16)10-12-7-4-2-3-5-8(7)17-10/h2-5,9,15H,6H2,1H3
InChIKeyBTYJRNGHALQYCA-UHFFFAOYSA-N
XLogP1.49
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzothiazole
CID 129479789
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 3332829
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl] acetate
CID 90606752
1-(1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710737
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
(3S)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94077557
(3R)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94077556
(2S,4R)-1-(1,3-benzothiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 126836110
(3aR,7aR)-2-(1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2253497
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
dimethyl 1-(1,3-benzothiazol-2-yl)-4-methoxy-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 139222059
1-[(3R,4R)-1-(1,3-benzothiazol-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135096527

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one (CID 70624053) is 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one is CN1CC(O)N(c2nc3ccccc3s2)C1=O.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one?
The InChIKey is BTYJRNGHALQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-13-6-9(15)14(11(13)16)10-12-7-4-2-3-5-8(7)17-10/h2-5,9,15H,6H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one?
3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one has a molecular weight of 249.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 70624053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).