N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride

C19H28ClN3OS2 — CID 44947217

IUPACN-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
SMILESCSc1ccc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2c1.Cl
InChIInChI=1S/C19H27N3OS2.ClH/c1-21(2)11-12-22(18(23)14-7-5-4-6-8-14)19-20-16-10-9-15(24-3)13-17(16)25-19;/h9-10,13-14H,4-8,11-12H2,1-3H3;1H
InChIKeyVJJUEIFLGVRVAQ-UHFFFAOYSA-N
MW414.04 g/mol
LogP4.91
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride (PubChem CID 44947217) has the molecular formula C19H28ClN3OS2 and a molecular weight of 414.04 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
PubChem CID44947217
Molecular FormulaC19H28ClN3OS2
Molecular Weight414.04 g/mol
Exact Mass413.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
SMILESCSc1ccc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2c1.Cl
InChIInChI=1S/C19H27N3OS2.ClH/c1-21(2)11-12-22(18(23)14-7-5-4-6-8-14)19-20-16-10-9-15(24-3)13-17(16)25-19;/h9-10,13-14H,4-8,11-12H2,1-3H3;1H
InChIKeyVJJUEIFLGVRVAQ-UHFFFAOYSA-N
XLogP4.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.04
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-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

4-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947181
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 44947318
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 44947241
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44947274
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 44947202
N-[2-(dimethylamino)ethyl]-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947258
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
CID 44947314
N-[2-(dimethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947205
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44928795
N-[2-(dimethylamino)ethyl]-4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 44947307
2-chloro-N-[2-(diethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947327
4-(dibutylsulfamoyl)-N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947254

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride (CID 44947217) is N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride is CSc1ccc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2c1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
The InChIKey is VJJUEIFLGVRVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS2.ClH/c1-21(2)11-12-22(18(23)14-7-5-4-6-8-14)19-20-16-10-9-15(24-3)13-17(16)25-19;/h9-10,13-14H,4-8,11-12H2,1-3H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride has a molecular weight of 414.04 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 44947217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).