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

C15H20N2S — CID 116888197

IUPAC1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCc1cc(C)c(-c2nc(CC(C)N)cs2)cc1C
InChIInChI=1S/C15H20N2S/c1-9-5-11(3)14(6-10(9)2)15-17-13(8-18-15)7-12(4)16/h5-6,8,12H,7,16H2,1-4H3
InChIKeyFGEMLAIYKLGTQY-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.63
Rot. Bonds3

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

1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116888197) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116888197
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCc1cc(C)c(-c2nc(CC(C)N)cs2)cc1C
InChIInChI=1S/C15H20N2S/c1-9-5-11(3)14(6-10(9)2)15-17-13(8-18-15)7-12(4)16/h5-6,8,12H,7,16H2,1-4H3
InChIKeyFGEMLAIYKLGTQY-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 116888197) is 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine is Cc1cc(C)c(-c2nc(CC(C)N)cs2)cc1C.
What is the InChIKey of 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is FGEMLAIYKLGTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-9-5-11(3)14(6-10(9)2)15-17-13(8-18-15)7-12(4)16/h5-6,8,12H,7,16H2,1-4H3.
What are the key properties of 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116888197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).