4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine

C16H23N3O2S — CID 82548601

IUPAC4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
SMILESCOc1c(C)cc(C)c2sc(NCCN3CCOCC3)nc12
InChIInChI=1S/C16H23N3O2S/c1-11-10-12(2)15-13(14(11)20-3)18-16(22-15)17-4-5-19-6-8-21-9-7-19/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyNPSCHADUIZCXGO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.67
Rot. Bonds5

About 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine

4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 82548601) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID82548601
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
SMILESCOc1c(C)cc(C)c2sc(NCCN3CCOCC3)nc12
InChIInChI=1S/C16H23N3O2S/c1-11-10-12(2)15-13(14(11)20-3)18-16(22-15)17-4-5-19-6-8-21-9-7-19/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyNPSCHADUIZCXGO-UHFFFAOYSA-N
XLogP2.67
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine 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

ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 143962241
5-(2-aminoethyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 94696966
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-thiazol-2-amine
CID 10250107
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 45496623
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride
CID 161241528
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 143408006
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine (CID 82548601) is 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine is COc1c(C)cc(C)c2sc(NCCN3CCOCC3)nc12.
What is the InChIKey of 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is NPSCHADUIZCXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-10-12(2)15-13(14(11)20-3)18-16(22-15)17-4-5-19-6-8-21-9-7-19/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 321.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).