4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one

C11H11N3OS — CID 107143769

IUPAC4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one
SMILESO=C1CC(Nc2snc3ccccc23)CN1
InChIInChI=1S/C11H11N3OS/c15-10-5-7(6-12-10)13-11-8-3-1-2-4-9(8)14-16-11/h1-4,7,13H,5-6H2,(H,12,15)
InChIKeyMDOYAYNDKKJJHX-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.60
Rot. Bonds2

About 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one

4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one (PubChem CID 107143769) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one
PubChem CID107143769
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one
SMILESO=C1CC(Nc2snc3ccccc23)CN1
InChIInChI=1S/C11H11N3OS/c15-10-5-7(6-12-10)13-11-8-3-1-2-4-9(8)14-16-11/h1-4,7,13H,5-6H2,(H,12,15)
InChIKeyMDOYAYNDKKJJHX-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine
CID 66354450
4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 106198405
4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
CID 106182802
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
CID 106198193
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine
CID 66355508
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 103952551
4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192229
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
4-(furo[3,2-c]pyridin-4-ylamino)pyrrolidin-2-one
CID 107143780

Frequently Asked Questions

What is the IUPAC name of 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one (CID 107143769) is 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one is O=C1CC(Nc2snc3ccccc23)CN1.
What is the InChIKey of 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one?
The InChIKey is MDOYAYNDKKJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-10-5-7(6-12-10)13-11-8-3-1-2-4-9(8)14-16-11/h1-4,7,13H,5-6H2,(H,12,15).
What are the key properties of 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one?
4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one has a molecular weight of 233.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1-benzothiazol-3-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 107143769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).