5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one

C10H10N4OS — CID 139227115

IUPAC5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one
SMILESNC1CC(=O)NN1c1nc2ccccc2s1
InChIInChI=1S/C10H10N4OS/c11-8-5-9(15)13-14(8)10-12-6-3-1-2-4-7(6)16-10/h1-4,8H,5,11H2,(H,13,15)
InChIKeyZBPORJWRWXKUNP-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.82
Rot. Bonds1

About 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one

5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one (PubChem CID 139227115) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one
PubChem CID139227115
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one
SMILESNC1CC(=O)NN1c1nc2ccccc2s1
InChIInChI=1S/C10H10N4OS/c11-8-5-9(15)13-14(8)10-12-6-3-1-2-4-7(6)16-10/h1-4,8H,5,11H2,(H,13,15)
InChIKeyZBPORJWRWXKUNP-UHFFFAOYSA-N
XLogP0.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710737
(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7325990
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
(3aR,7aR)-2-(1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2253497
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
2-(1,3-benzothiazol-2-yl)-5-cyclopropyl-1H-pyrazol-3-one
CID 66022565
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
[1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677843
(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
1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135732933
2-(1,3-benzothiazol-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
CID 115371955

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one?
The IUPAC name of 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one (CID 139227115) is 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one.
What is the SMILES notation for 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one?
The canonical SMILES for 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one is NC1CC(=O)NN1c1nc2ccccc2s1.
What is the InChIKey of 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one?
The InChIKey is ZBPORJWRWXKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-8-5-9(15)13-14(8)10-12-6-3-1-2-4-7(6)16-10/h1-4,8H,5,11H2,(H,13,15).
What are the key properties of 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one?
5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one has a molecular weight of 234.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one is sourced from PubChem (CID 139227115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).