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

C22H31N3O2S — CID 43997021

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
SMILESCCc1ccc2nc(N(CCN3CCOCC3)C(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C22H31N3O2S/c1-2-17-8-9-19-20(16-17)28-22(23-19)25(11-10-24-12-14-27-15-13-24)21(26)18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3
InChIKeyPXMWHOZEERUEEX-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.10
Rot. Bonds6

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

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide (PubChem CID 43997021) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
PubChem CID43997021
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
SMILESCCc1ccc2nc(N(CCN3CCOCC3)C(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C22H31N3O2S/c1-2-17-8-9-19-20(16-17)28-22(23-19)25(11-10-24-12-14-27-15-13-24)21(26)18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3
InChIKeyPXMWHOZEERUEEX-UHFFFAOYSA-N
XLogP4.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 18583240
N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
CID 90602587
2-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137888
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide;hydrochloride
CID 44933274
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 43963226
N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137866
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 44933280
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137883
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 29070615
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(2-methyl-3-pyridinyl)methyl]cyclohexanecarboxamide
CID 162380099
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 7622597

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide (CID 43997021) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide is CCc1ccc2nc(N(CCN3CCOCC3)C(=O)C3CCCCC3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The InChIKey is PXMWHOZEERUEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-2-17-8-9-19-20(16-17)28-22(23-19)25(11-10-24-12-14-27-15-13-24)21(26)18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide has a molecular weight of 401.58 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 43997021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).