1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine

C15H20N2S — CID 54863036

IUPAC1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2scnc2C)cc1
InChIInChI=1S/C15H20N2S/c1-10-5-7-14(8-6-10)11(2)17-13(4)15-12(3)16-9-18-15/h5-9,11,13,17H,1-4H3
InChIKeyTXTCKNFBFJMWEA-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine

1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 54863036) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID54863036
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2scnc2C)cc1
InChIInChI=1S/C15H20N2S/c1-10-5-7-14(8-6-10)11(2)17-13(4)15-12(3)16-9-18-15/h5-9,11,13,17H,1-4H3
InChIKeyTXTCKNFBFJMWEA-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 54863036) is 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)c2scnc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is TXTCKNFBFJMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-7-14(8-6-10)11(2)17-13(4)15-12(3)16-9-18-15/h5-9,11,13,17H,1-4H3.
What are the key properties of 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 54863036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).