4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol

C13H16N2O2S — CID 54913363

IUPAC4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2O2S/c1-9-8-18-13(15-9)7-14-6-10-5-11(17-2)3-4-12(10)16/h3-5,8,14,16H,6-7H2,1-2H3
InChIKeyHPZCNVQGTKDQRQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.46
Rot. Bonds5

About 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol

4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol (PubChem CID 54913363) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
PubChem CID54913363
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2O2S/c1-9-8-18-13(15-9)7-14-6-10-5-11(17-2)3-4-12(10)16/h3-5,8,14,16H,6-7H2,1-2H3
InChIKeyHPZCNVQGTKDQRQ-UHFFFAOYSA-N
XLogP2.46
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554
4-bromo-2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 113229731
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 103851725
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 112705335
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115777095
4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78963860
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 63626229
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol (CID 54913363) is 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol is COc1ccc(O)c(CNCc2nc(C)cs2)c1.
What is the InChIKey of 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol?
The InChIKey is HPZCNVQGTKDQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-8-18-13(15-9)7-14-6-10-5-11(17-2)3-4-12(10)16/h3-5,8,14,16H,6-7H2,1-2H3.
What are the key properties of 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol?
4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol has a molecular weight of 264.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 54913363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).