N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine

C16H16N2O2S — CID 53414475

IUPACN-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cccc(Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C16H16N2O2S/c1-3-20-13-6-4-5-11(9-13)17-16-18-14-8-7-12(19-2)10-15(14)21-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyYLBXAZYNHMNXLC-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.45
Rot. Bonds5

About N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 53414475) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID53414475
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cccc(Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C16H16N2O2S/c1-3-20-13-6-4-5-11(9-13)17-16-18-14-8-7-12(19-2)10-15(14)21-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyYLBXAZYNHMNXLC-UHFFFAOYSA-N
XLogP4.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-ethoxyphenyl)-6-methoxy-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

5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64587663
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 107601409
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 53414475) is N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine is CCOc1cccc(Nc2nc3ccc(OC)cc3s2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is YLBXAZYNHMNXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-20-13-6-4-5-11(9-13)17-16-18-14-8-7-12(19-2)10-15(14)21-16/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 300.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 53414475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).