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

C13H16N2OS — CID 110879669

IUPAC3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESOCCCNCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C13H16N2OS/c16-8-4-7-14-9-12-10-15-13(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,14,16H,4,7-9H2
InChIKeyVZKPUIDEXYMRSQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.28
Rot. Bonds6

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

3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (PubChem CID 110879669) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
PubChem CID110879669
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESOCCCNCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C13H16N2OS/c16-8-4-7-14-9-12-10-15-13(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,14,16H,4,7-9H2
InChIKeyVZKPUIDEXYMRSQ-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]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-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol
CID 165076036
2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide
CID 166216915
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
CID 111974588
(2S)-3-methyl-2-[(2-phenyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 120510586
3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 115697275
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82422371
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol
CID 167660298
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (CID 110879669) is 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is OCCCNCc1cnc(-c2ccccc2)s1.
What is the InChIKey of 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is VZKPUIDEXYMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-8-4-7-14-9-12-10-15-13(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,14,16H,4,7-9H2.
What are the key properties of 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 110879669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).