[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine

C12H14N2S — CID 82472240

IUPAC[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cccc(-c2sc(C)nc2CN)c1
InChIInChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)12-11(7-13)14-9(2)15-12/h3-6H,7,13H2,1-2H3
InChIKeyNAKMBGITGPEOEB-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.89
Rot. Bonds2

About [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine

[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 82472240) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID82472240
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cccc(-c2sc(C)nc2CN)c1
InChIInChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)12-11(7-13)14-9(2)15-12/h3-6H,7,13H2,1-2H3
InChIKeyNAKMBGITGPEOEB-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
CID 67979674
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68607371
[(5S)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68650119
[(1S,2R,5S)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68650121
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine (CID 82472240) is [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine is Cc1cccc(-c2sc(C)nc2CN)c1.
What is the InChIKey of [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is NAKMBGITGPEOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)12-11(7-13)14-9(2)15-12/h3-6H,7,13H2,1-2H3.
What are the key properties of [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine?
[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82472240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).