N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine

C15H14N2S — CID 694150

IUPACN-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C15H14N2S/c1-10-7-8-12(11(2)9-10)16-15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyIMCXFYMTGQKLQT-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.66
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine

N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 694150) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID694150
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C15H14N2S/c1-10-7-8-12(11(2)9-10)16-15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyIMCXFYMTGQKLQT-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine (CID 694150) is N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Nc2nc3ccccc3s2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is IMCXFYMTGQKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-7-8-12(11(2)9-10)16-15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 694150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).