N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide

C25H31N3O5S — CID 29137866

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1
InChIInChI=1S/C25H31N3O5S/c1-5-17-6-7-19-22(14-17)34-25(26-19)28(9-8-27-10-12-33-13-11-27)24(29)18-15-20(30-2)23(32-4)21(16-18)31-3/h6-7,14-16H,5,8-13H2,1-4H3
InChIKeyITFCSTIACYGWAT-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.86
Rot. Bonds9

About N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 29137866) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID29137866
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1
InChIInChI=1S/C25H31N3O5S/c1-5-17-6-7-19-22(14-17)34-25(26-19)28(9-8-27-10-12-33-13-11-27)24(29)18-15-20(30-2)23(32-4)21(16-18)31-3/h6-7,14-16H,5,8-13H2,1-4H3
InChIKeyITFCSTIACYGWAT-UHFFFAOYSA-N
XLogP3.86
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 18581736
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 44933280
3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137810
4-ethoxy-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070618
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137883
3,4-diethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 43997472
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
4-benzoyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998855
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137986
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998599
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 43997452
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070715

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 29137866) is N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is CCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ITFCSTIACYGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-5-17-6-7-19-22(14-17)34-25(26-19)28(9-8-27-10-12-33-13-11-27)24(29)18-15-20(30-2)23(32-4)21(16-18)31-3/h6-7,14-16H,5,8-13H2,1-4H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 485.61 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 29137866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).