3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide

C22H25N3O5S — CID 108763385

IUPAC3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5S/c1-27-17-11-15(12-18(28-2)20(17)29-3)21(26)24-22-23-16-5-4-14(10-19(16)31-22)13-25-6-8-30-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,24,26)
InChIKeyWJLIULUPFZYHCP-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.41
Rot. Bonds7

About 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide

3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 108763385) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID108763385
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5S/c1-27-17-11-15(12-18(28-2)20(17)29-3)21(26)24-22-23-16-5-4-14(10-19(16)31-22)13-25-6-8-30-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,24,26)
InChIKeyWJLIULUPFZYHCP-UHFFFAOYSA-N
XLogP3.41
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740915
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
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
2-chloroethyl N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]carbamate
CID 108740850
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide (CID 108763385) is 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is WJLIULUPFZYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-27-17-11-15(12-18(28-2)20(17)29-3)21(26)24-22-23-16-5-4-14(10-19(16)31-22)13-25-6-8-30-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 443.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 108763385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).