1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol

C15H19FN2O2S — CID 106045102

IUPAC1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nc(CCNCC(O)COc2ccccc2F)cs1
InChIInChI=1S/C15H19FN2O2S/c1-11-18-12(10-21-11)6-7-17-8-13(19)9-20-15-5-3-2-4-14(15)16/h2-5,10,13,17,19H,6-9H2,1H3
InChIKeyKADRSSKOMOCUTM-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.16
Rot. Bonds8

About 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol

1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol (PubChem CID 106045102) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
PubChem CID106045102
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nc(CCNCC(O)COc2ccccc2F)cs1
InChIInChI=1S/C15H19FN2O2S/c1-11-18-12(10-21-11)6-7-17-8-13(19)9-20-15-5-3-2-4-14(15)16/h2-5,10,13,17,19H,6-9H2,1H3
InChIKeyKADRSSKOMOCUTM-UHFFFAOYSA-N
XLogP2.16
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045106
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 35340568
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
CID 106045212
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol (CID 106045102) is 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol is Cc1nc(CCNCC(O)COc2ccccc2F)cs1.
What is the InChIKey of 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is KADRSSKOMOCUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-11-18-12(10-21-11)6-7-17-8-13(19)9-20-15-5-3-2-4-14(15)16/h2-5,10,13,17,19H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 310.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106045102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).