4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine

C13H16N2S — CID 8963113

IUPAC4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C)ccc2C)c(C)s1
InChIInChI=1S/C13H16N2S/c1-8-5-6-9(2)11(7-8)12-10(3)16-13(14-4)15-12/h5-7H,1-4H3,(H,14,15)
InChIKeyOCGPBKHPSBFEAP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.78
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine

4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 8963113) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
PubChem CID8963113
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C)ccc2C)c(C)s1
InChIInChI=1S/C13H16N2S/c1-8-5-6-9(2)11(7-8)12-10(3)16-13(14-4)15-12/h5-7H,1-4H3,(H,14,15)
InChIKeyOCGPBKHPSBFEAP-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-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 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine (CID 8963113) is 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine is CNc1nc(-c2cc(C)ccc2C)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OCGPBKHPSBFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-5-6-9(2)11(7-8)12-10(3)16-13(14-4)15-12/h5-7H,1-4H3,(H,14,15).
What are the key properties of 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8963113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).