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

C14H18N2O2S — CID 83970160

IUPAC[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(Cc2sc(CN)nc2C)c(OC)c1
InChIInChI=1S/C14H18N2O2S/c1-9-13(19-14(8-15)16-9)6-10-4-5-11(17-2)7-12(10)18-3/h4-5,7H,6,8,15H2,1-3H3
InChIKeyHOZQOIUEQSOUHL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.52
Rot. Bonds5

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

[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 83970160) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID83970160
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(Cc2sc(CN)nc2C)c(OC)c1
InChIInChI=1S/C14H18N2O2S/c1-9-13(19-14(8-15)16-9)6-10-4-5-11(17-2)7-12(10)18-3/h4-5,7H,6,8,15H2,1-3H3
InChIKeyHOZQOIUEQSOUHL-UHFFFAOYSA-N
XLogP2.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678
[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
CID 95467379
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 95458015
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
N-[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 89120885
2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine (CID 83970160) is [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine is COc1ccc(Cc2sc(CN)nc2C)c(OC)c1.
What is the InChIKey of [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is HOZQOIUEQSOUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-13(19-14(8-15)16-9)6-10-4-5-11(17-2)7-12(10)18-3/h4-5,7H,6,8,15H2,1-3H3.
What are the key properties of [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 83970160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).