2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine

C15H20N2S — CID 82428618

IUPAC2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(-c2cccc(C)c2)sc1C(C)(C)N
InChIInChI=1S/C15H20N2S/c1-5-12-13(15(3,4)16)18-14(17-12)11-8-6-7-10(2)9-11/h6-9H,5,16H2,1-4H3
InChIKeyATRBHWRKPKQPLS-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.87
Rot. Bonds3

About 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine

2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82428618) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82428618
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(-c2cccc(C)c2)sc1C(C)(C)N
InChIInChI=1S/C15H20N2S/c1-5-12-13(15(3,4)16)18-14(17-12)11-8-6-7-10(2)9-11/h6-9H,5,16H2,1-4H3
InChIKeyATRBHWRKPKQPLS-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-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 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82428618) is 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(-c2cccc(C)c2)sc1C(C)(C)N.
What is the InChIKey of 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is ATRBHWRKPKQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-5-12-13(15(3,4)16)18-14(17-12)11-8-6-7-10(2)9-11/h6-9H,5,16H2,1-4H3.
What are the key properties of 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82428618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).