3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol

C13H15FN2OS — CID 43407823

IUPAC3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
SMILESOCCCNCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2OS/c14-11-4-2-10(3-5-11)13-16-12(9-18-13)8-15-6-1-7-17/h2-5,9,15,17H,1,6-8H2
InChIKeyRUSHBAYOQFFLQR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.42
Rot. Bonds6

About 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol

3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol (PubChem CID 43407823) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
PubChem CID43407823
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
SMILESOCCCNCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2OS/c14-11-4-2-10(3-5-11)13-16-12(9-18-13)8-15-6-1-7-17/h2-5,9,15,17H,1,6-8H2
InChIKeyRUSHBAYOQFFLQR-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988515
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol (CID 43407823) is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol is OCCCNCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol?
The InChIKey is RUSHBAYOQFFLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-11-4-2-10(3-5-11)13-16-12(9-18-13)8-15-6-1-7-17/h2-5,9,15,17H,1,6-8H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol?
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol is sourced from PubChem (CID 43407823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).