2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol

C13H16N2O3S — CID 115732274

IUPAC2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESCOc1cc(CNCc2cncs2)cc(OC)c1O
InChIInChI=1S/C13H16N2O3S/c1-17-11-3-9(4-12(18-2)13(11)16)5-14-6-10-7-15-8-19-10/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKeyKLICMVGVTWDFDW-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.16
Rot. Bonds6

About 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol

2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (PubChem CID 115732274) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
PubChem CID115732274
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESCOc1cc(CNCc2cncs2)cc(OC)c1O
InChIInChI=1S/C13H16N2O3S/c1-17-11-3-9(4-12(18-2)13(11)16)5-14-6-10-7-15-8-19-10/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKeyKLICMVGVTWDFDW-UHFFFAOYSA-N
XLogP2.16
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
1-(3-chloro-4,5-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732289
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (CID 115732274) is 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is COc1cc(CNCc2cncs2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The InChIKey is KLICMVGVTWDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-11-3-9(4-12(18-2)13(11)16)5-14-6-10-7-15-8-19-10/h3-4,7-8,14,16H,5-6H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol has a molecular weight of 280.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 115732274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).