N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C23H19N3O2S — CID 43066815

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C23H19N3O2S/c27-22(14-17-15-29-23(24-17)21-10-5-13-28-21)25-18-7-2-4-9-20(18)26-12-11-16-6-1-3-8-19(16)26/h1-10,13,15H,11-12,14H2,(H,25,27)
InChIKeyODQWVMSAVGEVGZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.28
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 43066815) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID43066815
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C23H19N3O2S/c27-22(14-17-15-29-23(24-17)21-10-5-13-28-21)25-18-7-2-4-9-20(18)26-12-11-16-6-1-3-8-19(16)26/h1-10,13,15H,11-12,14H2,(H,25,27)
InChIKeyODQWVMSAVGEVGZ-UHFFFAOYSA-N
XLogP5.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 43066815) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ODQWVMSAVGEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-22(14-17-15-29-23(24-17)21-10-5-13-28-21)25-18-7-2-4-9-20(18)26-12-11-16-6-1-3-8-19(16)26/h1-10,13,15H,11-12,14H2,(H,25,27).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 43066815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).