2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol

C13H16N2O3S — CID 67214469

IUPAC2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol
SMILESCNCc1nc(-c2cc(OC)c(O)c(OC)c2)cs1
InChIInChI=1S/C13H16N2O3S/c1-14-6-12-15-9(7-19-12)8-4-10(17-2)13(16)11(5-8)18-3/h4-5,7,14,16H,6H2,1-3H3
InChIKeyQDNWNVYPLJXGHG-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.25
Rot. Bonds5

About 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol

2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol (PubChem CID 67214469) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol
PubChem CID67214469
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol
SMILESCNCc1nc(-c2cc(OC)c(O)c(OC)c2)cs1
InChIInChI=1S/C13H16N2O3S/c1-14-6-12-15-9(7-19-12)8-4-10(17-2)13(16)11(5-8)18-3/h4-5,7,14,16H,6H2,1-3H3
InChIKeyQDNWNVYPLJXGHG-UHFFFAOYSA-N
XLogP2.25
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
1-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4009901
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
1-[4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 79403792
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 3528202
N-methyl-1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanamine
CID 4550670
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 120558345
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol (CID 67214469) is 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol is CNCc1nc(-c2cc(OC)c(O)c(OC)c2)cs1.
What is the InChIKey of 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol?
The InChIKey is QDNWNVYPLJXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-14-6-12-15-9(7-19-12)8-4-10(17-2)13(16)11(5-8)18-3/h4-5,7,14,16H,6H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol?
2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol has a molecular weight of 280.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 67214469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).