N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C24H29N3O4S — CID 43997233

IUPACN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1cccc(OCC(=O)N(CCN2CCOCC2)c2nc3cc(C)c(C)cc3s2)c1
InChIInChI=1S/C24H29N3O4S/c1-17-13-21-22(14-18(17)2)32-24(25-21)27(8-7-26-9-11-30-12-10-26)23(28)16-31-20-6-4-5-19(15-20)29-3/h4-6,13-15H,7-12,16H2,1-3H3
InChIKeyBSVXAQBCJCWWEJ-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.67
Rot. Bonds8

About N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 43997233) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID43997233
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1cccc(OCC(=O)N(CCN2CCOCC2)c2nc3cc(C)c(C)cc3s2)c1
InChIInChI=1S/C24H29N3O4S/c1-17-13-21-22(14-18(17)2)32-24(25-21)27(8-7-26-9-11-30-12-10-26)23(28)16-31-20-6-4-5-19(15-20)29-3/h4-6,13-15H,7-12,16H2,1-3H3
InChIKeyBSVXAQBCJCWWEJ-UHFFFAOYSA-N
XLogP3.67
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997222
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997703
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622366
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137986
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997201
2-(4-chlorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137821
methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate
CID 43997863
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44933146
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997307
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 29138774
3-butoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319384
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 43997630

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 43997233) is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is COc1cccc(OCC(=O)N(CCN2CCOCC2)c2nc3cc(C)c(C)cc3s2)c1.
What is the InChIKey of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is BSVXAQBCJCWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-13-21-22(14-18(17)2)32-24(25-21)27(8-7-26-9-11-30-12-10-26)23(28)16-31-20-6-4-5-19(15-20)29-3/h4-6,13-15H,7-12,16H2,1-3H3.
What are the key properties of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 43997233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).