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

C21H23N3O3S — CID 108740895

IUPAC2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-2-5-17(6-3-15)27-14-20(25)23-21-22-18-7-4-16(12-19(18)28-21)13-24-8-10-26-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,23,25)
InChIKeyCWILRCADDSYYCM-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.45
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 108740895) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID108740895
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-2-5-17(6-3-15)27-14-20(25)23-21-22-18-7-4-16(12-19(18)28-21)13-24-8-10-26-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,23,25)
InChIKeyCWILRCADDSYYCM-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
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-(2-nitrophenoxy)acetamide
CID 108740869
N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-phenoxyacetamide
CID 108737893
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide
CID 108760840
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740892

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide (CID 108740895) is 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is CWILRCADDSYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-2-5-17(6-3-15)27-14-20(25)23-21-22-18-7-4-16(12-19(18)28-21)13-24-8-10-26-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,23,25).
What are the key properties of 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 108740895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).