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

C14H18N2S — CID 78950293

IUPAC1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cscn2)c1
InChIInChI=1S/C14H18N2S/c1-10-4-11(2)6-13(5-10)12(3)15-7-14-8-17-9-16-14/h4-6,8-9,12,15H,7H2,1-3H3
InChIKeyZHCDYAWWDPCAFO-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.61
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 78950293) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID78950293
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cscn2)c1
InChIInChI=1S/C14H18N2S/c1-10-4-11(2)6-13(5-10)12(3)15-7-14-8-17-9-16-14/h4-6,8-9,12,15H,7H2,1-3H3
InChIKeyZHCDYAWWDPCAFO-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

(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 47067965
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63089651
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
2-[4-[1-(1,3-thiazol-4-ylmethylamino)ethyl]phenoxy]acetonitrile
CID 63378738
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
1-(3-nitrophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 55150037
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 78950293) is 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Cc1cc(C)cc(C(C)NCc2cscn2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is ZHCDYAWWDPCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-11(2)6-13(5-10)12(3)15-7-14-8-17-9-16-14/h4-6,8-9,12,15H,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-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-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 78950293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).