1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one

C11H10N2O2S — CID 168703402

IUPAC1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc2scnc2c1
InChIInChI=1S/C11H10N2O2S/c14-8-4-11(15)13(5-8)7-1-2-10-9(3-7)12-6-16-10/h1-3,6,8,14H,4-5H2
InChIKeyAULKDNFGPNFKOE-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.39
Rot. Bonds1

About 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one

1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703402) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168703402
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc2scnc2c1
InChIInChI=1S/C11H10N2O2S/c14-8-4-11(15)13(5-8)7-1-2-10-9(3-7)12-6-16-10/h1-3,6,8,14H,4-5H2
InChIKeyAULKDNFGPNFKOE-UHFFFAOYSA-N
XLogP1.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 79767866
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one (CID 168703402) is 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ccc2scnc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is AULKDNFGPNFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-8-4-11(15)13(5-8)7-1-2-10-9(3-7)12-6-16-10/h1-3,6,8,14H,4-5H2.
What are the key properties of 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one?
1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 234.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).