3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide

C21H23N3O3S — CID 108740861

IUPAC3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)c1
InChIInChI=1S/C21H23N3O3S/c1-2-27-17-5-3-4-16(13-17)20(25)23-21-22-18-7-6-15(12-19(18)28-21)14-24-8-10-26-11-9-24/h3-7,12-13H,2,8-11,14H2,1H3,(H,22,23,25)
InChIKeyCPVSIJCLNWUZFU-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.78
Rot. Bonds6

About 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide

3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 108740861) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID108740861
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)c1
InChIInChI=1S/C21H23N3O3S/c1-2-27-17-5-3-4-16(13-17)20(25)23-21-22-18-7-6-15(12-19(18)28-21)14-24-8-10-26-11-9-24/h3-7,12-13H,2,8-11,14H2,1H3,(H,22,23,25)
InChIKeyCPVSIJCLNWUZFU-UHFFFAOYSA-N
XLogP3.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740915
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
3-bromo-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]benzamide
CID 108760784
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
2-(2-ethylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740818
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
2-chloroethyl N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]carbamate
CID 108740850

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide (CID 108740861) is 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide is CCOc1cccc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)c1.
What is the InChIKey of 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is CPVSIJCLNWUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-27-17-5-3-4-16(13-17)20(25)23-21-22-18-7-6-15(12-19(18)28-21)14-24-8-10-26-11-9-24/h3-7,12-13H,2,8-11,14H2,1H3,(H,22,23,25).
What are the key properties of 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 108740861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).