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

C15H19N3O3S — CID 108740900

IUPAC2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C15H19N3O3S/c1-20-10-14(19)17-15-16-12-3-2-11(8-13(12)22-15)9-18-4-6-21-7-5-18/h2-3,8H,4-7,9-10H2,1H3,(H,16,17,19)
InChIKeyWRHMIMRGOMWRMO-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.71
Rot. Bonds5

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

2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 108740900) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID108740900
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C15H19N3O3S/c1-20-10-14(19)17-15-16-12-3-2-11(8-13(12)22-15)9-18-4-6-21-7-5-18/h2-3,8H,4-7,9-10H2,1H3,(H,16,17,19)
InChIKeyWRHMIMRGOMWRMO-UHFFFAOYSA-N
XLogP1.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
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]-3-phenylpropanamide
CID 108740918
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 108740869
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
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]cyclohexanecarboxamide
CID 108763394
4-(4-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740858
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide (CID 108740900) is 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide is COCC(=O)Nc1nc2ccc(CN3CCOCC3)cc2s1.
What is the InChIKey of 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is WRHMIMRGOMWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-10-14(19)17-15-16-12-3-2-11(8-13(12)22-15)9-18-4-6-21-7-5-18/h2-3,8H,4-7,9-10H2,1H3,(H,16,17,19).
What are the key properties of 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 108740900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).