1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

C13H16N2S — CID 62760386

IUPAC1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cncs2)cc1
InChIInChI=1S/C13H16N2S/c1-10-3-5-12(6-4-10)11(2)15-8-13-7-14-9-16-13/h3-7,9,11,15H,8H2,1-2H3
InChIKeyACECRQJHXHMOTB-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 62760386) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID62760386
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cncs2)cc1
InChIInChI=1S/C13H16N2S/c1-10-3-5-12(6-4-10)11(2)15-8-13-7-14-9-16-13/h3-7,9,11,15H,8H2,1-2H3
InChIKeyACECRQJHXHMOTB-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 55109906
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
1-(4-methyl-3-nitrophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732739
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 62760386) is 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2cncs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is ACECRQJHXHMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-3-5-12(6-4-10)11(2)15-8-13-7-14-9-16-13/h3-7,9,11,15H,8H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.30, 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-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62760386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).