N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C27H33N3O2S — CID 29070615

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccc4c(c3)CCCC4)sc2c1
InChIInChI=1S/C27H33N3O2S/c1-2-20-8-11-24-25(18-20)33-27(28-24)30(13-5-12-29-14-16-32-17-15-29)26(31)23-10-9-21-6-3-4-7-22(21)19-23/h8-11,18-19H,2-7,12-17H2,1H3
InChIKeyWQCXUDURJMMTLL-UHFFFAOYSA-N
MW463.65 g/mol
LogP5.11
Rot. Bonds7

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 29070615) has the molecular formula C27H33N3O2S and a molecular weight of 463.65 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID29070615
Molecular FormulaC27H33N3O2S
Molecular Weight463.65 g/mol
Exact Mass463.23
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccc4c(c3)CCCC4)sc2c1
InChIInChI=1S/C27H33N3O2S/c1-2-20-8-11-24-25(18-20)33-27(28-24)30(13-5-12-29-14-16-32-17-15-29)26(31)23-10-9-21-6-3-4-7-22(21)19-23/h8-11,18-19H,2-7,12-17H2,1H3
InChIKeyWQCXUDURJMMTLL-UHFFFAOYSA-N
XLogP5.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998855
4-ethoxy-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070618
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070715
4-(dipropylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998861
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 29159803
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
4-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998831
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070698
3-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935802
N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 44917623
N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137866

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 29070615) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccc4c(c3)CCCC4)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WQCXUDURJMMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2S/c1-2-20-8-11-24-25(18-20)33-27(28-24)30(13-5-12-29-14-16-32-17-15-29)26(31)23-10-9-21-6-3-4-7-22(21)19-23/h8-11,18-19H,2-7,12-17H2,1H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 463.65 g/mol, XLogP of 5.11, 7 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-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 29070615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).