2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone

C13H15N3OS — CID 112683781

IUPAC2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nc2ccccc2s1)N1CCCC1
InChIInChI=1S/C13H15N3OS/c17-12(16-7-3-4-8-16)9-14-13-15-10-5-1-2-6-11(10)18-13/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyZXTXXNIMVFZUQM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.33
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone

2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 112683781) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
PubChem CID112683781
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nc2ccccc2s1)N1CCCC1
InChIInChI=1S/C13H15N3OS/c17-12(16-7-3-4-8-16)9-14-13-15-10-5-1-2-6-11(10)18-13/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyZXTXXNIMVFZUQM-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 8882198
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
2-(1,3-benzothiazol-2-ylamino)-1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 70731369
3-(1,3-benzothiazol-2-ylamino)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 154873885
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-(3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 60666991
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzothiazol-2-ylamino)ethanone
CID 110829148
ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9030687
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone (CID 112683781) is 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone is O=C(CNc1nc2ccccc2s1)N1CCCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is ZXTXXNIMVFZUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-12(16-7-3-4-8-16)9-14-13-15-10-5-1-2-6-11(10)18-13/h1-2,5-6H,3-4,7-9H2,(H,14,15).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone?
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 261.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112683781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).