2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C24H24N4O3S — CID 58278912

IUPAC2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OCCN1CCOCC1)C2
InChIInChI=1S/C24H24N4O3S/c29-23(27-24-25-8-15-32-24)19-6-3-4-17-16-20(26-22(17)19)18-5-1-2-7-21(18)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14,16H2,(H,25,27,29)
InChIKeyRMROTEDAUJLLEJ-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.78
Rot. Bonds7

About 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58278912) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58278912
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OCCN1CCOCC1)C2
InChIInChI=1S/C24H24N4O3S/c29-23(27-24-25-8-15-32-24)19-6-3-4-17-16-20(26-22(17)19)18-5-1-2-7-21(18)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14,16H2,(H,25,27,29)
InChIKeyRMROTEDAUJLLEJ-UHFFFAOYSA-N
XLogP3.78
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58278912) is 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OCCN1CCOCC1)C2.
What is the InChIKey of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is RMROTEDAUJLLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-23(27-24-25-8-15-32-24)19-6-3-4-17-16-20(26-22(17)19)18-5-1-2-7-21(18)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14,16H2,(H,25,27,29).
What are the key properties of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58278912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).