N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

C16H22ClN3O2S — CID 119943598

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc2nc(NC(=O)C3(C)CCCNC3)sc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-3-21-11-5-6-12-13(9-11)22-15(18-12)19-14(20)16(2)7-4-8-17-10-16;/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,19,20);1H
InChIKeyFVDVKRTXPFEAEV-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.44
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119943598) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119943598
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc2nc(NC(=O)C3(C)CCCNC3)sc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-3-21-11-5-6-12-13(9-11)22-15(18-12)19-14(20)16(2)7-4-8-17-10-16;/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,19,20);1H
InChIKeyFVDVKRTXPFEAEV-UHFFFAOYSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 60581755
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
2,2-dichloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropane-1-carboxamide
CID 46665582
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 63132685
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596064
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 63130297

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119943598) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is CCOc1ccc2nc(NC(=O)C3(C)CCCNC3)sc2c1.Cl.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is FVDVKRTXPFEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-3-21-11-5-6-12-13(9-11)22-15(18-12)19-14(20)16(2)7-4-8-17-10-16;/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,19,20);1H.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).