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

C18H18ClN3O4S — CID 57411369

IUPAC4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C18H18ClN3O4S/c19-12-2-1-3-14-11(12)4-5-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-6-8-26-9-7-21/h1-3H,4-10H2,(H,24,25)
InChIKeyMIOMMFIKTOATBG-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.46
Rot. Bonds4

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

4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 57411369) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID57411369
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C18H18ClN3O4S/c19-12-2-1-3-14-11(12)4-5-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-6-8-26-9-7-21/h1-3H,4-10H2,(H,24,25)
InChIKeyMIOMMFIKTOATBG-UHFFFAOYSA-N
XLogP2.46
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid 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 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 57411369) is 4-[2-(4-chloro-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-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(4-chloro-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)N1CCc2c(Cl)cccc21.
What is the InChIKey of 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MIOMMFIKTOATBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-12-2-1-3-14-11(12)4-5-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-6-8-26-9-7-21/h1-3H,4-10H2,(H,24,25).
What are the key properties of 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 407.88 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 57411369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).