2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol

C14H18N2OS — CID 55175219

IUPAC2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCc1cc(CNCCc2nccs2)cc(C)c1O
InChIInChI=1S/C14H18N2OS/c1-10-7-12(8-11(2)14(10)17)9-15-4-3-13-16-5-6-18-13/h5-8,15,17H,3-4,9H2,1-2H3
InChIKeyIVZWZZPTCJHFIL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.80
Rot. Bonds5

About 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol

2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol (PubChem CID 55175219) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
PubChem CID55175219
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCc1cc(CNCCc2nccs2)cc(C)c1O
InChIInChI=1S/C14H18N2OS/c1-10-7-12(8-11(2)14(10)17)9-15-4-3-13-16-5-6-18-13/h5-8,15,17H,3-4,9H2,1-2H3
InChIKeyIVZWZZPTCJHFIL-UHFFFAOYSA-N
XLogP2.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62198261
4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 107730832
N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196333
3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 63242570
2-chloro-6-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112554405
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242514
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 62196657
N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115682543
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82102676
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol (CID 55175219) is 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol is Cc1cc(CNCCc2nccs2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is IVZWZZPTCJHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-7-12(8-11(2)14(10)17)9-15-4-3-13-16-5-6-18-13/h5-8,15,17H,3-4,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 262.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 55175219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).