4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol

C11H11FN2OS — CID 136813722

IUPAC4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol
SMILESCC(N)c1csc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C11H11FN2OS/c1-6(13)9-5-16-11(14-9)7-2-3-10(15)8(12)4-7/h2-6,15H,13H2,1H3
InChIKeyIXWGVHSEMRHGPJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.67
Rot. Bonds2

About 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol

4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol (PubChem CID 136813722) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol
PubChem CID136813722
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol
SMILESCC(N)c1csc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C11H11FN2OS/c1-6(13)9-5-16-11(14-9)7-2-3-10(15)8(12)4-7/h2-6,15H,13H2,1H3
InChIKeyIXWGVHSEMRHGPJ-UHFFFAOYSA-N
XLogP2.67
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol?
The IUPAC name of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol (CID 136813722) is 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol is CC(N)c1csc(-c2ccc(O)c(F)c2)n1.
What is the InChIKey of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol?
The InChIKey is IXWGVHSEMRHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6(13)9-5-16-11(14-9)7-2-3-10(15)8(12)4-7/h2-6,15H,13H2,1H3.
What are the key properties of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol?
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol has a molecular weight of 238.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol is sourced from PubChem (CID 136813722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).