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

C13H16N2OS — CID 54912829

IUPAC4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
SMILESCc1csc(CNC(C)c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2OS/c1-9-8-17-13(15-9)7-14-10(2)11-3-5-12(16)6-4-11/h3-6,8,10,14,16H,7H2,1-2H3
InChIKeyZXLOXIWAHHWHBW-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds4

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

4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol (PubChem CID 54912829) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
PubChem CID54912829
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
SMILESCc1csc(CNC(C)c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2OS/c1-9-8-17-13(15-9)7-14-10(2)11-3-5-12(16)6-4-11/h3-6,8,10,14,16H,7H2,1-2H3
InChIKeyZXLOXIWAHHWHBW-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]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

1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 71864791
1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113260063
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912981
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]benzonitrile
CID 54913077
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913361
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol (CID 54912829) is 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol is Cc1csc(CNC(C)c2ccc(O)cc2)n1.
What is the InChIKey of 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol?
The InChIKey is ZXLOXIWAHHWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-8-17-13(15-9)7-14-10(2)11-3-5-12(16)6-4-11/h3-6,8,10,14,16H,7H2,1-2H3.
What are the key properties of 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol?
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 54912829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).