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

C18H19BrN4O3S — CID 57411254

IUPAC4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2c(Br)cccc21
InChIInChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
InChIKeyPBQDTIVOGGGFGU-UHFFFAOYSA-N
MW451.35 g/mol
LogP1.97
Rot. Bonds4

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

4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 57411254) has the molecular formula C18H19BrN4O3S and a molecular weight of 451.35 g/mol. Its IUPAC name is 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID57411254
Molecular FormulaC18H19BrN4O3S
Molecular Weight451.35 g/mol
Exact Mass450.04
IUPAC Name4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2c(Br)cccc21
InChIInChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
InChIKeyPBQDTIVOGGGFGU-UHFFFAOYSA-N
XLogP1.97
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 57411254) is 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is NC(=O)c1sc(N2CCOCC2)nc1CC(=O)N1CCc2c(Br)cccc21.
What is the InChIKey of 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PBQDTIVOGGGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25).
What are the key properties of 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57411254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).