1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one

C13H15N3OS — CID 114002787

IUPAC1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C13H15N3OS/c1-2-14-11-5-6-16(13(11)17)9-3-4-10-12(7-9)18-8-15-10/h3-4,7-8,11,14H,2,5-6H2,1H3
InChIKeyGTZQLOSUUFSABR-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.01
Rot. Bonds3

About 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one

1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one (PubChem CID 114002787) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
PubChem CID114002787
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C13H15N3OS/c1-2-14-11-5-6-16(13(11)17)9-3-4-10-12(7-9)18-8-15-10/h3-4,7-8,11,14H,2,5-6H2,1H3
InChIKeyGTZQLOSUUFSABR-UHFFFAOYSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one
CID 107801589
1-(1,3-benzothiazol-6-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 107806718
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
CID 55115356
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
(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-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 62329429
1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973009
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973272
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one (CID 114002787) is 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one is CCNC1CCN(c2ccc3ncsc3c2)C1=O.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one?
The InChIKey is GTZQLOSUUFSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-14-11-5-6-16(13(11)17)9-3-4-10-12(7-9)18-8-15-10/h3-4,7-8,11,14H,2,5-6H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one?
1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one is sourced from PubChem (CID 114002787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).