(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol

C14H18N2OS — CID 112742116

IUPAC(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCC(NCC[C@@H](O)c1ccccc1)c1nccs1
InChIInChI=1S/C14H18N2OS/c1-11(14-16-9-10-18-14)15-8-7-13(17)12-5-3-2-4-6-12/h2-6,9-11,13,15,17H,7-8H2,1H3/t11?,13-/m1/s1
InChIKeyAWPLHBFSDAOFFZ-GLGOKHISSA-N
MW262.38 g/mol
LogP2.92
Rot. Bonds6

About (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol

(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol (PubChem CID 112742116) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
PubChem CID112742116
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCC(NCC[C@@H](O)c1ccccc1)c1nccs1
InChIInChI=1S/C14H18N2OS/c1-11(14-16-9-10-18-14)15-8-7-13(17)12-5-3-2-4-6-12/h2-6,9-11,13,15,17H,7-8H2,1H3/t11?,13-/m1/s1
InChIKeyAWPLHBFSDAOFFZ-GLGOKHISSA-N
XLogP2.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol 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-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 10543000

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The IUPAC name of (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol (CID 112742116) is (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol is CC(NCC[C@@H](O)c1ccccc1)c1nccs1.
What is the InChIKey of (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The InChIKey is AWPLHBFSDAOFFZ-GLGOKHISSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(14-16-9-10-18-14)15-8-7-13(17)12-5-3-2-4-6-12/h2-6,9-11,13,15,17H,7-8H2,1H3/t11?,13-/m1/s1.
What are the key properties of (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 112742116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).