[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine

C13H16N2S — CID 116868210

IUPAC[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1ccc(-c2nc(CN)cs2)c(C)c1C
InChIInChI=1S/C13H16N2S/c1-8-4-5-12(10(3)9(8)2)13-15-11(6-14)7-16-13/h4-5,7H,6,14H2,1-3H3
InChIKeyIDNKNBFYAZUNJQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.19
Rot. Bonds2

About [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine

[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 116868210) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID116868210
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1ccc(-c2nc(CN)cs2)c(C)c1C
InChIInChI=1S/C13H16N2S/c1-8-4-5-12(10(3)9(8)2)13-15-11(6-14)7-16-13/h4-5,7H,6,14H2,1-3H3
InChIKeyIDNKNBFYAZUNJQ-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888287
2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890712
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
N-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864476
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
CID 82091892
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 61280679

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine (CID 116868210) is [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine is Cc1ccc(-c2nc(CN)cs2)c(C)c1C.
What is the InChIKey of [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is IDNKNBFYAZUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-4-5-12(10(3)9(8)2)13-15-11(6-14)7-16-13/h4-5,7H,6,14H2,1-3H3.
What are the key properties of [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 232.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 116868210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).