2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide

C18H19N5OS — CID 70254311

IUPAC2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1
InChIInChI=1S/C18H19N5OS/c24-17(20-16-7-3-4-8-19-16)13-22-9-11-23(12-10-22)18-14-5-1-2-6-15(14)25-21-18/h1-8H,9-13H2,(H,19,20,24)
InChIKeyRYLOLYABPDJFMM-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 70254311) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID70254311
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1
InChIInChI=1S/C18H19N5OS/c24-17(20-16-7-3-4-8-19-16)13-22-9-11-23(12-10-22)18-14-5-1-2-6-15(14)25-21-18/h1-8H,9-13H2,(H,19,20,24)
InChIKeyRYLOLYABPDJFMM-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide;hydrochloride
CID 67841314
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-4-carboxamide
CID 10620723
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893
N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 44582209
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione;hydrochloride
CID 67835829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide (CID 70254311) is 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1.
What is the InChIKey of 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is RYLOLYABPDJFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(20-16-7-3-4-8-19-16)13-22-9-11-23(12-10-22)18-14-5-1-2-6-15(14)25-21-18/h1-8H,9-13H2,(H,19,20,24).
What are the key properties of 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 353.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 70254311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).