2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol

C11H10F2N2OS — CID 116966828

IUPAC2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
SMILESNCC(O)c1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C11H10F2N2OS/c12-6-1-2-8(13)7(3-6)9-5-17-11(15-9)10(16)4-14/h1-3,5,10,16H,4,14H2
InChIKeyWHEBBFIYCYSNSH-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol

2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966828) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966828
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
SMILESNCC(O)c1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C11H10F2N2OS/c12-6-1-2-8(13)7(3-6)9-5-17-11(15-9)10(16)4-14/h1-3,5,10,16H,4,14H2
InChIKeyWHEBBFIYCYSNSH-UHFFFAOYSA-N
XLogP2.08
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
2-amino-1-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890686
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667850
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854880
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
CID 28839535
1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 116867670
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
CID 82123007
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol (CID 116966828) is 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol is NCC(O)c1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is WHEBBFIYCYSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c12-6-1-2-8(13)7(3-6)9-5-17-11(15-9)10(16)4-14/h1-3,5,10,16H,4,14H2.
What are the key properties of 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol?
2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 256.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).