N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide

C16H22N3O2S+ — CID 7992190

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide
SMILESCCOc1ccc2nc(NC(=O)C[NH+]3CCCCC3)sc2c1
InChIInChI=1S/C16H21N3O2S/c1-2-21-12-6-7-13-14(10-12)22-16(17-13)18-15(20)11-19-8-4-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,20)/p+1
InChIKeyGSBRXXBBLVONMQ-UHFFFAOYSA-O
MW320.44 g/mol
LogP1.70
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 7992190) has the molecular formula C16H22N3O2S+ and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide
PubChem CID7992190
Molecular FormulaC16H22N3O2S+
Molecular Weight320.44 g/mol
Exact Mass320.14
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide
SMILESCCOc1ccc2nc(NC(=O)C[NH+]3CCCCC3)sc2c1
InChIInChI=1S/C16H21N3O2S/c1-2-21-12-6-7-13-14(10-12)22-16(17-13)18-15(20)11-19-8-4-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,20)/p+1
InChIKeyGSBRXXBBLVONMQ-UHFFFAOYSA-O
XLogP1.70
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7647920
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43952248
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide (CID 7992190) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide is CCOc1ccc2nc(NC(=O)C[NH+]3CCCCC3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is GSBRXXBBLVONMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O2S/c1-2-21-12-6-7-13-14(10-12)22-16(17-13)18-15(20)11-19-8-4-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,20)/p+1.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 320.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 7992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).