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

C18H20N4O3S — CID 57411134

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H20N4O3S/c19-17(24)16-13(20-18(26-16)21-7-9-25-10-8-21)11-15(23)22-6-5-12-3-1-2-4-14(12)22/h1-4H,5-11H2,(H2,19,24)
InChIKeyJJEQHQDCYGPKKH-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.21
Rot. Bonds4

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

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 57411134) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID57411134
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H20N4O3S/c19-17(24)16-13(20-18(26-16)21-7-9-25-10-8-21)11-15(23)22-6-5-12-3-1-2-4-14(12)22/h1-4H,5-11H2,(H2,19,24)
InChIKeyJJEQHQDCYGPKKH-UHFFFAOYSA-N
XLogP1.21
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 57411134) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is NC(=O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JJEQHQDCYGPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c19-17(24)16-13(20-18(26-16)21-7-9-25-10-8-21)11-15(23)22-6-5-12-3-1-2-4-14(12)22/h1-4H,5-11H2,(H2,19,24).
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57411134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).