2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol

C13H16N2O2S — CID 79603673

IUPAC2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol
SMILESCC(O)c1ccc(N(C)Cc2cscn2)cc1O
InChIInChI=1S/C13H16N2O2S/c1-9(16)12-4-3-11(5-13(12)17)15(2)6-10-7-18-8-14-10/h3-5,7-9,16-17H,6H2,1-2H3
InChIKeyTZRRDGKOTCHSIN-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.54
Rot. Bonds4

About 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol

2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol (PubChem CID 79603673) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol
PubChem CID79603673
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol
SMILESCC(O)c1ccc(N(C)Cc2cscn2)cc1O
InChIInChI=1S/C13H16N2O2S/c1-9(16)12-4-3-11(5-13(12)17)15(2)6-10-7-18-8-14-10/h3-5,7-9,16-17H,6H2,1-2H3
InChIKeyTZRRDGKOTCHSIN-UHFFFAOYSA-N
XLogP2.54
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
4-[(1R)-1-aminoethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55189964
4-(bromomethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107082286
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
4-(chloromethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62128963
N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 83122521
(1R)-1-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 63372740
6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 103937223
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol (CID 79603673) is 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol is CC(O)c1ccc(N(C)Cc2cscn2)cc1O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol?
The InChIKey is TZRRDGKOTCHSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(16)12-4-3-11(5-13(12)17)15(2)6-10-7-18-8-14-10/h3-5,7-9,16-17H,6H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol?
2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol has a molecular weight of 264.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol is sourced from PubChem (CID 79603673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).