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

C19H19FN2O3S — CID 162715457

IUPAC[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate
SMILESCCCC(=O)O[C@@H](CC)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C19H19FN2O3S/c1-3-5-17(23)25-16(4-2)15-10-26-19(22-15)18(24)13-9-21-14-8-11(20)6-7-12(13)14/h6-10,16,21H,3-5H2,1-2H3/t16-/m0/s1
InChIKeyIBKJLAJAQQJYOD-INIZCTEOSA-N
MW374.44 g/mol
LogP4.79
Rot. Bonds7

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

[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate (PubChem CID 162715457) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate.

Molecular Properties

Compound Name[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate
PubChem CID162715457
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate
SMILESCCCC(=O)O[C@@H](CC)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C19H19FN2O3S/c1-3-5-17(23)25-16(4-2)15-10-26-19(22-15)18(24)13-9-21-14-8-11(20)6-7-12(13)14/h6-10,16,21H,3-5H2,1-2H3/t16-/m0/s1
InChIKeyIBKJLAJAQQJYOD-INIZCTEOSA-N
XLogP4.79
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
Indothiazinone
CID 69252541
1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-methylthiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506353
ITE-CONHMe
CID 118656024
[3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indol-1-yl]-acetic acid ethyl ester
CID 10092094
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
Indolokine A5
CID 23651846
Indolokine A3
CID 156515665
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
2-(5-fluoro-1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 147680873
1-[2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 147701356
1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 148844720

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate?
The IUPAC name of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate (CID 162715457) is [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate.
What is the SMILES notation for [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate?
The canonical SMILES for [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate is CCCC(=O)O[C@@H](CC)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate?
The InChIKey is IBKJLAJAQQJYOD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-3-5-17(23)25-16(4-2)15-10-26-19(22-15)18(24)13-9-21-14-8-11(20)6-7-12(13)14/h6-10,16,21H,3-5H2,1-2H3/t16-/m0/s1.
What are the key properties of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate?
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate has a molecular weight of 374.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] butanoate is sourced from PubChem (CID 162715457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).