N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

C22H15N3O2S — CID 108784691

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)ccc2N1
InChIInChI=1S/C22H15N3O2S/c26-20-11-17-10-16(7-8-18(17)23-20)21(27)25-22-24-19(12-28-22)15-6-5-13-3-1-2-4-14(13)9-15/h1-10,12H,11H2,(H,23,26)(H,24,25,27)
InChIKeyGTJRRPGOEDOTCW-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.71
Rot. Bonds3

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108784691) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108784691
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)ccc2N1
InChIInChI=1S/C22H15N3O2S/c26-20-11-17-10-16(7-8-18(17)23-20)21(27)25-22-24-19(12-28-22)15-6-5-13-3-1-2-4-14(13)9-15/h1-10,12H,11H2,(H,23,26)(H,24,25,27)
InChIKeyGTJRRPGOEDOTCW-UHFFFAOYSA-N
XLogP4.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108784691) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)ccc2N1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is GTJRRPGOEDOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c26-20-11-17-10-16(7-8-18(17)23-20)21(27)25-22-24-19(12-28-22)15-6-5-13-3-1-2-4-14(13)9-15/h1-10,12H,11H2,(H,23,26)(H,24,25,27).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108784691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).