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

C14H18N2S — CID 115732234

IUPAC1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cncs2)cc1C
InChIInChI=1S/C14H18N2S/c1-10-4-5-13(6-11(10)2)12(3)16-8-14-7-15-9-17-14/h4-7,9,12,16H,8H2,1-3H3
InChIKeyYWFMLYQKYMTHSH-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.61
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 115732234) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID115732234
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cncs2)cc1C
InChIInChI=1S/C14H18N2S/c1-10-4-5-13(6-11(10)2)12(3)16-8-14-7-15-9-17-14/h4-7,9,12,16H,8H2,1-3H3
InChIKeyYWFMLYQKYMTHSH-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.61
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
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(4-methyl-3-nitrophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732739
(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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 55109906
(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
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171162
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 115732234) is 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2cncs2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is YWFMLYQKYMTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-5-13(6-11(10)2)12(3)16-8-14-7-15-9-17-14/h4-7,9,12,16H,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115732234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).