1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol

C15H19FN2OS — CID 111565157

IUPAC1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol
SMILESCc1cc(F)ccc1C(O)CNC(C)(C)c1nccs1
InChIInChI=1S/C15H19FN2OS/c1-10-8-11(16)4-5-12(10)13(19)9-18-15(2,3)14-17-6-7-20-14/h4-8,13,18-19H,9H2,1-3H3
InChIKeyOUGNIDAJCUCGBV-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol

1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol (PubChem CID 111565157) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol
PubChem CID111565157
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol
SMILESCc1cc(F)ccc1C(O)CNC(C)(C)c1nccs1
InChIInChI=1S/C15H19FN2OS/c1-10-8-11(16)4-5-12(10)13(19)9-18-15(2,3)14-17-6-7-20-14/h4-8,13,18-19H,9H2,1-3H3
InChIKeyOUGNIDAJCUCGBV-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 111496556
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
5-fluoro-2-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]benzonitrile
CID 71925815
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 62135503
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
CID 138473211
1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714641
5-fluoro-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]benzoic acid
CID 114131885
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol (CID 111565157) is 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol is Cc1cc(F)ccc1C(O)CNC(C)(C)c1nccs1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
The InChIKey is OUGNIDAJCUCGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10-8-11(16)4-5-12(10)13(19)9-18-15(2,3)14-17-6-7-20-14/h4-8,13,18-19H,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol has a molecular weight of 294.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 111565157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).