4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine

C15H14N2OS — CID 10516204

IUPAC4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylaniline
SMILESCC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)OC)N
InChIInChI=1S/C15H14N2OS/c1-9-7-10(3-5-12(9)16)15-17-13-6-4-11(18-2)8-14(13)19-15/h3-8H,16H2,1-2H3
InChIKeyIHAKSKROKLAGPF-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.70
Rot. Bonds2

About 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine

4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine (PubChem CID 10516204) has the molecular formula C15H14N2OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine
PubChem CID10516204
Molecular FormulaC15H14N2OS
Molecular Weight270.40 g/mol
Exact Mass270.08
IUPAC Name4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylaniline
SMILESCC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)OC)N
InChIInChI=1S/C15H14N2OS/c1-9-7-10(3-5-12(9)16)15-17-13-6-4-11(18-2)8-14(13)19-15/h3-8H,16H2,1-2H3
InChIKeyIHAKSKROKLAGPF-UHFFFAOYSA-N
XLogP3.70
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity315

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Flutemetamol F-18
CID 15950376
Flutemetamol
CID 10107393
2-(4-Methoxyphenyl)benzothiazole
CID 95753
4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
11C-PiB
CID 2826731
2-(4'-(Methylamino)phenyl)-6-hydroxybenzothiazole
CID 10171487
2-(2-Methoxyphenyl)benzothiazole
CID 95764
6-Methoxy-2-methylbenzothiazole
CID 76254
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870
2-(4-Amino-3-methylphenyl)-6-hydroxybenzothiazole
CID 396812
6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
2-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963

Frequently Asked Questions

What is the IUPAC name of 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine?
The IUPAC name of 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine (CID 10516204) is 4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylaniline.
What is the SMILES notation for 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine?
The canonical SMILES for 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine is CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)OC)N.
What is the InChIKey of 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine?
The InChIKey is IHAKSKROKLAGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-7-10(3-5-12(9)16)15-17-13-6-4-11(18-2)8-14(13)19-15/h3-8H,16H2,1-2H3.
What are the key properties of 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine?
4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine has a molecular weight of 270.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-Methoxy-benzothiazol-2-yl)-2-methylphenyl-amine is sourced from PubChem (CID 10516204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).