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

C13H16N2O2S — CID 28709843

IUPAC[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nc(C)sc2CN)c1
InChIInChI=1S/C13H16N2O2S/c1-8-15-13(12(7-14)18-8)10-6-9(16-2)4-5-11(10)17-3/h4-6H,7,14H2,1-3H3
InChIKeyRSJDNAKMIXPVMK-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.59
Rot. Bonds4

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

[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 28709843) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID28709843
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nc(C)sc2CN)c1
InChIInChI=1S/C13H16N2O2S/c1-8-15-13(12(7-14)18-8)10-6-9(16-2)4-5-11(10)17-3/h4-6H,7,14H2,1-3H3
InChIKeyRSJDNAKMIXPVMK-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

[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
CID 7460125
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine (CID 28709843) is [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine is COc1ccc(OC)c(-c2nc(C)sc2CN)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is RSJDNAKMIXPVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-15-13(12(7-14)18-8)10-6-9(16-2)4-5-11(10)17-3/h4-6H,7,14H2,1-3H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
[4-(2,5-dimethoxyphenyl)-2-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 [4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 28709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).