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

C19H20FN3O4S — CID 57411715

IUPAC4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C19H20FN3O4S/c1-11-8-12-9-13(20)2-3-15(12)23(11)16(24)10-14-17(18(25)26)28-19(21-14)22-4-6-27-7-5-22/h2-3,9,11H,4-8,10H2,1H3,(H,25,26)
InChIKeyHDZUKCNSPUYSLP-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.34
Rot. Bonds4

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

4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 57411715) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-methyl-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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID57411715
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C19H20FN3O4S/c1-11-8-12-9-13(20)2-3-15(12)23(11)16(24)10-14-17(18(25)26)28-19(21-14)22-4-6-27-7-5-22/h2-3,9,11H,4-8,10H2,1H3,(H,25,26)
InChIKeyHDZUKCNSPUYSLP-UHFFFAOYSA-N
XLogP2.34
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.34
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-methyl-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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 57411715) is 4-[2-(5-fluoro-2-methyl-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-methyl-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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HDZUKCNSPUYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-11-8-12-9-13(20)2-3-15(12)23(11)16(24)10-14-17(18(25)26)28-19(21-14)22-4-6-27-7-5-22/h2-3,9,11H,4-8,10H2,1H3,(H,25,26).
What are the key properties of 4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 405.45 g/mol, XLogP of 2.34, 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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 57411715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).