2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine

C15H20N2S — CID 116888112

IUPAC2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(C)N)cs2)c(C)c1C
InChIInChI=1S/C15H20N2S/c1-9-6-7-12(11(3)10(9)2)14-17-13(8-18-14)15(4,5)16/h6-8H,16H2,1-5H3
InChIKeyZPUSDHYPZZEECO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.93
Rot. Bonds2

About 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116888112) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116888112
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(C)N)cs2)c(C)c1C
InChIInChI=1S/C15H20N2S/c1-9-6-7-12(11(3)10(9)2)14-17-13(8-18-14)15(4,5)16/h6-8H,16H2,1-5H3
InChIKeyZPUSDHYPZZEECO-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 116888112) is 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine is Cc1ccc(-c2nc(C(C)(C)N)cs2)c(C)c1C.
What is the InChIKey of 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is ZPUSDHYPZZEECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-9-6-7-12(11(3)10(9)2)14-17-13(8-18-14)15(4,5)16/h6-8H,16H2,1-5H3.
What are the key properties of 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116888112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).