2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine

C13H16N2OS — CID 116864423

IUPAC2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
SMILESCCOc1ccc(-c2nc(NC)cs2)cc1C
InChIInChI=1S/C13H16N2OS/c1-4-16-11-6-5-10(7-9(11)2)13-15-12(14-3)8-17-13/h5-8,14H,4H2,1-3H3
InChIKeySARCLXQQICFOQG-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.56
Rot. Bonds4

About 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine

2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine (PubChem CID 116864423) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
PubChem CID116864423
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
SMILESCCOc1ccc(-c2nc(NC)cs2)cc1C
InChIInChI=1S/C13H16N2OS/c1-4-16-11-6-5-10(7-9(11)2)13-15-12(14-3)8-17-13/h5-8,14H,4H2,1-3H3
InChIKeySARCLXQQICFOQG-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-amine
CID 71013426
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864413
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852096
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
2-(3-chloro-4-ethoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 116889928

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine (CID 116864423) is 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine is CCOc1ccc(-c2nc(NC)cs2)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine?
The InChIKey is SARCLXQQICFOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-16-11-6-5-10(7-9(11)2)13-15-12(14-3)8-17-13/h5-8,14H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine?
2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 116864423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).