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

C13H16N2OS — CID 106793124

IUPAC[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1cc(C)ccc1-c1nc(C)c(CN)s1
InChIInChI=1S/C13H16N2OS/c1-8-4-5-10(11(6-8)16-3)13-15-9(2)12(7-14)17-13/h4-6H,7,14H2,1-3H3
InChIKeyZTVWHNHJWODCIA-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.89
Rot. Bonds3

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

[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 106793124) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID106793124
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1cc(C)ccc1-c1nc(C)c(CN)s1
InChIInChI=1S/C13H16N2OS/c1-8-4-5-10(11(6-8)16-3)13-15-9(2)12(7-14)17-13/h4-6H,7,14H2,1-3H3
InChIKeyZTVWHNHJWODCIA-UHFFFAOYSA-N
XLogP2.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate
CID 175068424
[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 84608613
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513
4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889727
[2-(2-bromo-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114015463

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 106793124) is [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is COc1cc(C)ccc1-c1nc(C)c(CN)s1.
What is the InChIKey of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZTVWHNHJWODCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-4-5-10(11(6-8)16-3)13-15-9(2)12(7-14)17-13/h4-6H,7,14H2,1-3H3.
What are the key properties of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106793124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).