6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine

C17H18N2O3S — CID 86577101

IUPAC6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3s2)c(OC)c1OC
InChIInChI=1S/C17H18N2O3S/c1-10-5-6-11-14(9-10)23-17(18-11)19-12-7-8-13(20-2)16(22-4)15(12)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyTZIRLWKJFOTTEM-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.37
Rot. Bonds5

About 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine

6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 86577101) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID86577101
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3s2)c(OC)c1OC
InChIInChI=1S/C17H18N2O3S/c1-10-5-6-11-14(9-10)23-17(18-11)19-12-7-8-13(20-2)16(22-4)15(12)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyTZIRLWKJFOTTEM-UHFFFAOYSA-N
XLogP4.37
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-(2,3,4-trimethoxyphenyl)-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

N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine (CID 86577101) is 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3ccc(C)cc3s2)c(OC)c1OC.
What is the InChIKey of 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is TZIRLWKJFOTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-5-6-11-14(9-10)23-17(18-11)19-12-7-8-13(20-2)16(22-4)15(12)21-3/h5-9H,1-4H3,(H,18,19).
What are the key properties of 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 330.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 86577101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).