5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C12H14N2O2S — CID 116811899

IUPAC5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2cccc(OC)c2OC)s1
InChIInChI=1S/C12H14N2O2S/c1-13-12-14-7-10(17-12)8-5-4-6-9(15-2)11(8)16-3/h4-7H,1-3H3,(H,13,14)
InChIKeyQJKZPZCVIVDWEC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.87
Rot. Bonds4

About 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine

5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 116811899) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID116811899
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2cccc(OC)c2OC)s1
InChIInChI=1S/C12H14N2O2S/c1-13-12-14-7-10(17-12)8-5-4-6-9(15-2)11(8)16-3/h4-7H,1-3H3,(H,13,14)
InChIKeyQJKZPZCVIVDWEC-UHFFFAOYSA-N
XLogP2.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812467
5-(2-methoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 18506910
2-(3,4-dimethoxyphenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272089
5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812252
2-(3-chlorophenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272031
6-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794989
5-bromo-2-(2,3-dimethoxyphenyl)pyridine
CID 68621665
5-(2,3-dimethoxyphenyl)thiophene-2-carbonitrile
CID 165489137
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124
1-[2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280126
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
6-(2,3-dimethoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 82793961

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 116811899) is 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1ncc(-c2cccc(OC)c2OC)s1.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is QJKZPZCVIVDWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-13-12-14-7-10(17-12)8-5-4-6-9(15-2)11(8)16-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 250.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116811899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).