1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol

C15H19FN2OS — CID 111496642

IUPAC1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
SMILESCCC(C)(NCC(O)c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C15H19FN2OS/c1-3-15(2,14-17-8-9-20-14)18-10-13(19)11-4-6-12(16)7-5-11/h4-9,13,18-19H,3,10H2,1-2H3
InChIKeyHMTGROLRBMTOGQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.23
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol

1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol (PubChem CID 111496642) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
PubChem CID111496642
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
SMILESCCC(C)(NCC(O)c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C15H19FN2OS/c1-3-15(2,14-17-8-9-20-14)18-10-13(19)11-4-6-12(16)7-5-11/h4-9,13,18-19H,3,10H2,1-2H3
InChIKeyHMTGROLRBMTOGQ-UHFFFAOYSA-N
XLogP3.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol
CID 111565157
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
CID 95901390
methyl 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanoate
CID 111109844
(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 95901404

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol (CID 111496642) is 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol is CCC(C)(NCC(O)c1ccc(F)cc1)c1nccs1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol?
The InChIKey is HMTGROLRBMTOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-3-15(2,14-17-8-9-20-14)18-10-13(19)11-4-6-12(16)7-5-11/h4-9,13,18-19H,3,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol?
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol has a molecular weight of 294.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol is sourced from PubChem (CID 111496642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).