N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H19N5OS — CID 6465270

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H19N5OS/c24-17(21-18-20-14-5-1-2-6-15(14)25-18)13-22-9-11-23(12-10-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,21,24)
InChIKeyUFOUEOTYVCPASR-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.45
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 6465270) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID6465270
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H19N5OS/c24-17(21-18-20-14-5-1-2-6-15(14)25-18)13-22-9-11-23(12-10-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,21,24)
InChIKeyUFOUEOTYVCPASR-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 6465270) is N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is UFOUEOTYVCPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(21-18-20-14-5-1-2-6-15(14)25-18)13-22-9-11-23(12-10-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide 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 N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6465270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).