N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride

C22H34ClN3OS — CID 44928795

IUPACN-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)C1CCCCC1)c1nc2cc(C)c(C)cc2s1.Cl
InChIInChI=1S/C22H33N3OS.ClH/c1-5-24(6-2)12-13-25(21(26)18-10-8-7-9-11-18)22-23-19-14-16(3)17(4)15-20(19)27-22;/h14-15,18H,5-13H2,1-4H3;1H
InChIKeyNQQUSAUZQLMTEG-UHFFFAOYSA-N
MW424.05 g/mol
LogP5.59
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride (PubChem CID 44928795) has the molecular formula C22H34ClN3OS and a molecular weight of 424.05 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
PubChem CID44928795
Molecular FormulaC22H34ClN3OS
Molecular Weight424.05 g/mol
Exact Mass423.21
IUPAC NameN-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)C1CCCCC1)c1nc2cc(C)c(C)cc2s1.Cl
InChIInChI=1S/C22H33N3OS.ClH/c1-5-24(6-2)12-13-25(21(26)18-10-8-7-9-11-18)22-23-19-14-16(3)17(4)15-20(19)27-22;/h14-15,18H,5-13H2,1-4H3;1H
InChIKeyNQQUSAUZQLMTEG-UHFFFAOYSA-N
XLogP5.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.05
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43961041
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 18582243
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]cyclohexanecarboxamide
CID 41345698
2-chloro-N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41016530
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43968066
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]cyclohexanecarboxamide;hydrochloride
CID 44938736
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 44928835
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 43962376
N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7525178
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 41016571
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44928767
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;hydrochloride
CID 44928862

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride (CID 44928795) is N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride is CCN(CC)CCN(C(=O)C1CCCCC1)c1nc2cc(C)c(C)cc2s1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
The InChIKey is NQQUSAUZQLMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3OS.ClH/c1-5-24(6-2)12-13-25(21(26)18-10-8-7-9-11-18)22-23-19-14-16(3)17(4)15-20(19)27-22;/h14-15,18H,5-13H2,1-4H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride has a molecular weight of 424.05 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 44928795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).