[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate

C17H15FN2O3S — CID 155213713

IUPAC[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate
SMILESCC[C@@H](OC(C)=O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C17H15FN2O3S/c1-3-15(23-9(2)21)14-8-24-17(20-14)16(22)12-7-19-13-6-10(18)4-5-11(12)13/h4-8,15,19H,3H2,1-2H3/t15-/m1/s1
InChIKeyJYXGAMSEUMPVAL-OAHLLOKOSA-N
MW346.38 g/mol
LogP4.01
Rot. Bonds5

About [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate

[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate (PubChem CID 155213713) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate
PubChem CID155213713
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate
SMILESCC[C@@H](OC(C)=O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C17H15FN2O3S/c1-3-15(23-9(2)21)14-8-24-17(20-14)16(22)12-7-19-13-6-10(18)4-5-11(12)13/h4-8,15,19H,3H2,1-2H3/t15-/m1/s1
InChIKeyJYXGAMSEUMPVAL-OAHLLOKOSA-N
XLogP4.01
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate?
The IUPAC name of [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate (CID 155213713) is [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate.
What is the SMILES notation for [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate?
The canonical SMILES for [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate is CC[C@@H](OC(C)=O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate?
The InChIKey is JYXGAMSEUMPVAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-3-15(23-9(2)21)14-8-24-17(20-14)16(22)12-7-19-13-6-10(18)4-5-11(12)13/h4-8,15,19H,3H2,1-2H3/t15-/m1/s1.
What are the key properties of [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate?
[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate has a molecular weight of 346.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate is sourced from PubChem (CID 155213713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).