4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine

C12H16N2O2S — CID 82549536

IUPAC4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C12H16N2O2S/c1-8-4-5-9(16-3)10-11(8)17-12(14-10)13-6-7-15-2/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyVPCNUYAHOGMCRP-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.67
Rot. Bonds5

About 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine

4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549536) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
PubChem CID82549536
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C12H16N2O2S/c1-8-4-5-9(16-3)10-11(8)17-12(14-10)13-6-7-15-2/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyVPCNUYAHOGMCRP-UHFFFAOYSA-N
XLogP2.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-(2-methoxyethyl)-7-methyl-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

2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
CID 82548972
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 56592906
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 82549477
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
1-(3,5-dimethylphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081034
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325364

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine (CID 82549536) is 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine is COCCNc1nc2c(OC)ccc(C)c2s1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is VPCNUYAHOGMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-4-5-9(16-3)10-11(8)17-12(14-10)13-6-7-15-2/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine?
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).