N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C20H23N5O2S — CID 649685

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C20H23N5O2S/c1-2-27-15-6-7-16-17(13-15)28-20(22-16)23-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,23,26)
InChIKeyUDHIMDSNSOMCIB-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.85
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 649685) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID649685
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C20H23N5O2S/c1-2-27-15-6-7-16-17(13-15)28-20(22-16)23-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,23,26)
InChIKeyUDHIMDSNSOMCIB-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 649685) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is UDHIMDSNSOMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-2-27-15-6-7-16-17(13-15)28-20(22-16)23-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,23,26).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 649685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).