4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

C18H18FN3O4S — CID 57411488

IUPAC4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O4S/c19-12-1-2-14-11(9-12)3-4-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-5-7-26-8-6-21/h1-2,9H,3-8,10H2,(H,24,25)
InChIKeyCAVORXGEZDVODE-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.95
Rot. Bonds4

About 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 57411488) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID57411488
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O4S/c19-12-1-2-14-11(9-12)3-4-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-5-7-26-8-6-21/h1-2,9H,3-8,10H2,(H,24,25)
InChIKeyCAVORXGEZDVODE-UHFFFAOYSA-N
XLogP1.95
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 57411488) is 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CAVORXGEZDVODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-12-1-2-14-11(9-12)3-4-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-5-7-26-8-6-21/h1-2,9H,3-8,10H2,(H,24,25).
What are the key properties of 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 391.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 57411488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).