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

C12H14N2O2S — CID 104589124

IUPAC2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESCOc1cccc(CNCc2cncs2)c1O
InChIInChI=1S/C12H14N2O2S/c1-16-11-4-2-3-9(12(11)15)5-13-6-10-7-14-8-17-10/h2-4,7-8,13,15H,5-6H2,1H3
InChIKeyYUJNATCPBVXVHD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.15
Rot. Bonds5

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

2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (PubChem CID 104589124) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
PubChem CID104589124
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESCOc1cccc(CNCc2cncs2)c1O
InChIInChI=1S/C12H14N2O2S/c1-16-11-4-2-3-9(12(11)15)5-13-6-10-7-14-8-17-10/h2-4,7-8,13,15H,5-6H2,1H3
InChIKeyYUJNATCPBVXVHD-UHFFFAOYSA-N
XLogP2.15
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.15
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

2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
2-methoxy-6-[(1,3-thiazol-4-ylmethylamino)methyl]phenol
CID 62732785
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113
4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589056
2-methoxy-6-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884327
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 54943974
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
3-[(2-hydroxy-3-methoxyphenyl)methylamino]propanenitrile
CID 28728331
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (CID 104589124) is 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is COc1cccc(CNCc2cncs2)c1O.
What is the InChIKey of 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The InChIKey is YUJNATCPBVXVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-11-4-2-3-9(12(11)15)5-13-6-10-7-14-8-17-10/h2-4,7-8,13,15H,5-6H2,1H3.
What are the key properties of 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol has a molecular weight of 250.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 104589124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).