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

C17H23N3OS — CID 78815678

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCCC1C)c1nc2ccccc2s1
InChIInChI=1S/C17H23N3OS/c1-3-20(16(21)12-19-11-7-6-8-13(19)2)17-18-14-9-4-5-10-15(14)22-17/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3
InChIKeyJSIUCOOJVCOGQC-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.52
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 78815678) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID78815678
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCCC1C)c1nc2ccccc2s1
InChIInChI=1S/C17H23N3OS/c1-3-20(16(21)12-19-11-7-6-8-13(19)2)17-18-14-9-4-5-10-15(14)22-17/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3
InChIKeyJSIUCOOJVCOGQC-UHFFFAOYSA-N
XLogP3.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 111496521
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CID 26551879
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
CID 87021844
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 87016774
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 97321128
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570197
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CID 18141671
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 9134895
N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide
CID 27094684
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-nitropyrazol-1-yl)acetamide
CID 47045997

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide (CID 78815678) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide is CCN(C(=O)CN1CCCCC1C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is JSIUCOOJVCOGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-20(16(21)12-19-11-7-6-8-13(19)2)17-18-14-9-4-5-10-15(14)22-17/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 78815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).