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

C13H16N2O2S — CID 82133642

IUPAC[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C)c(CN)s2)c(OC)c1
InChIInChI=1S/C13H16N2O2S/c1-8-12(7-14)18-13(15-8)10-5-4-9(16-2)6-11(10)17-3/h4-6H,7,14H2,1-3H3
InChIKeyXZYDILQQUYCGED-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.59
Rot. Bonds4

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

[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82133642) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID82133642
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C)c(CN)s2)c(OC)c1
InChIInChI=1S/C13H16N2O2S/c1-8-12(7-14)18-13(15-8)10-5-4-9(16-2)6-11(10)17-3/h4-6H,7,14H2,1-3H3
InChIKeyXZYDILQQUYCGED-UHFFFAOYSA-N
XLogP2.59
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 84608613
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
CID 134315655
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 82133642) is [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is COc1ccc(-c2nc(C)c(CN)s2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XZYDILQQUYCGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-12(7-14)18-13(15-8)10-5-4-9(16-2)6-11(10)17-3/h4-6H,7,14H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82133642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).