3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline

C15H14N2OS — CID 107209141

IUPAC3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nc2c(C)cccc2s1
InChIInChI=1S/C15H14N2OS/c1-9-4-3-5-13-14(9)17-15(19-13)11-7-6-10(16)8-12(11)18-2/h3-8H,16H2,1-2H3
InChIKeyQMCUGDCAOBLZFC-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.86
Rot. Bonds2

About 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline

3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 107209141) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline
PubChem CID107209141
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nc2c(C)cccc2s1
InChIInChI=1S/C15H14N2OS/c1-9-4-3-5-13-14(9)17-15(19-13)11-7-6-10(16)8-12(11)18-2/h3-8H,16H2,1-2H3
InChIKeyQMCUGDCAOBLZFC-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline (CID 107209141) is 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline is COc1cc(N)ccc1-c1nc2c(C)cccc2s1.
What is the InChIKey of 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is QMCUGDCAOBLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-4-3-5-13-14(9)17-15(19-13)11-7-6-10(16)8-12(11)18-2/h3-8H,16H2,1-2H3.
What are the key properties of 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline?
3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 107209141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).