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

C13H16N2O2S — CID 63829548

IUPAC5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCc2cscn2)c(O)c1
InChIInChI=1S/C13H16N2O2S/c1-17-12-3-2-10(13(16)6-12)7-14-5-4-11-8-18-9-15-11/h2-3,6,8-9,14,16H,4-5,7H2,1H3
InChIKeyLCAGPXIPFYWIFP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds6

About 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol

5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol (PubChem CID 63829548) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
PubChem CID63829548
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCc2cscn2)c(O)c1
InChIInChI=1S/C13H16N2O2S/c1-17-12-3-2-10(13(16)6-12)7-14-5-4-11-8-18-9-15-11/h2-3,6,8-9,14,16H,4-5,7H2,1H3
InChIKeyLCAGPXIPFYWIFP-UHFFFAOYSA-N
XLogP2.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 113305341
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-methyl-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 112554922
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
CID 63824853
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol (CID 63829548) is 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol is COc1ccc(CNCCc2cscn2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol?
The InChIKey is LCAGPXIPFYWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-12-3-2-10(13(16)6-12)7-14-5-4-11-8-18-9-15-11/h2-3,6,8-9,14,16H,4-5,7H2,1H3.
What are the key properties of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol?
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol has a molecular weight of 264.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 63829548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).