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

C17H15FN2O3S — CID 155213716

IUPAC1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate
SMILESCCC(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
InChIKeyJYXGAMSEUMPVAL-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.01
Rot. Bonds5

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

1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate (PubChem CID 155213716) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate
PubChem CID155213716
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate
SMILESCCC(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
InChIKeyJYXGAMSEUMPVAL-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate?
The IUPAC name of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate (CID 155213716) is 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate.
What is the SMILES notation for 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate?
The canonical SMILES for 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate is CCC(OC(C)=O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate?
The InChIKey is JYXGAMSEUMPVAL-UHFFFAOYSA-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.
What are the key properties of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate?
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 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate is sourced from PubChem (CID 155213716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).