N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide

C21H24N4OS — CID 26551879

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C21H24N4OS/c1-2-25(21-22-18-10-6-7-11-19(18)27-21)20(26)16-23-12-14-24(15-13-23)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKeyOSTJEYQJOSVNEA-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.47
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 26551879) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID26551879
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C21H24N4OS/c1-2-25(21-22-18-10-6-7-11-19(18)27-21)20(26)16-23-12-14-24(15-13-23)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKeyOSTJEYQJOSVNEA-UHFFFAOYSA-N
XLogP3.47
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 55598090
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CID 97321128
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CID 78815678
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CID 18141671
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N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16563517
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111496521
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-nitropyrazol-1-yl)acetamide
CID 47045997
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide (CID 26551879) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide is CCN(C(=O)CN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is OSTJEYQJOSVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-25(21-22-18-10-6-7-11-19(18)27-21)20(26)16-23-12-14-24(15-13-23)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 26551879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).