N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide

C21H28ClN3O2S — CID 43963226

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
SMILESCc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12
InChIInChI=1S/C21H28ClN3O2S/c1-15-13-17(22)14-18-19(15)23-21(28-18)25(8-7-24-9-11-27-12-10-24)20(26)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3
InChIKeyCTFUXYIMHLCWRB-UHFFFAOYSA-N
MW421.99 g/mol
LogP4.50
Rot. Bonds5

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide (PubChem CID 43963226) has the molecular formula C21H28ClN3O2S and a molecular weight of 421.99 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
PubChem CID43963226
Molecular FormulaC21H28ClN3O2S
Molecular Weight421.99 g/mol
Exact Mass421.16
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
SMILESCc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12
InChIInChI=1S/C21H28ClN3O2S/c1-15-13-17(22)14-18-19(15)23-21(28-18)25(8-7-24-9-11-27-12-10-24)20(26)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3
InChIKeyCTFUXYIMHLCWRB-UHFFFAOYSA-N
XLogP4.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide 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-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 29159504
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-9H-xanthene-9-carboxamide
CID 43963324
3-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29159393
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29159631
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide
CID 167636148
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 43997021
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide;hydrochloride
CID 44929403
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29159639
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929342
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 18583240
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 43963222
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 44903424

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide (CID 43963226) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide is Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The InChIKey is CTFUXYIMHLCWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2S/c1-15-13-17(22)14-18-19(15)23-21(28-18)25(8-7-24-9-11-27-12-10-24)20(26)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide has a molecular weight of 421.99 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 43963226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).