3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol

C14H18N2OS — CID 113261620

IUPAC3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1cncs1
InChIInChI=1S/C14H18N2OS/c1-11(14-8-15-10-18-14)16-13(9-17)7-12-5-3-2-4-6-12/h2-6,8,10-11,13,16-17H,7,9H2,1H3
InChIKeyDTYWRCGWTUGPEH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.40
Rot. Bonds6

About 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol

3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol (PubChem CID 113261620) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
PubChem CID113261620
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1cncs1
InChIInChI=1S/C14H18N2OS/c1-11(14-8-15-10-18-14)16-13(9-17)7-12-5-3-2-4-6-12/h2-6,8,10-11,13,16-17H,7,9H2,1H3
InChIKeyDTYWRCGWTUGPEH-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-2-[1-(1,3-thiazol-5-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

4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115704547
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
2-(furan-2-yl)-2-[1-(1,3-thiazol-5-yl)ethylamino]ethanol
CID 115725174
(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol
CID 104926167
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115901615

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol (CID 113261620) is 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol is CC(NC(CO)Cc1ccccc1)c1cncs1.
What is the InChIKey of 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The InChIKey is DTYWRCGWTUGPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(14-8-15-10-18-14)16-13(9-17)7-12-5-3-2-4-6-12/h2-6,8,10-11,13,16-17H,7,9H2,1H3.
What are the key properties of 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol?
3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 113261620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).