N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C24H16ClN3O2S — CID 108809085

IUPACN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)Nc3cccc(-c4csc(-c5ccccc5Cl)n4)c3)ccc2N1
InChIInChI=1S/C24H16ClN3O2S/c25-19-7-2-1-6-18(19)24-28-21(13-31-24)14-4-3-5-17(11-14)26-23(30)15-8-9-20-16(10-15)12-22(29)27-20/h1-11,13H,12H2,(H,26,30)(H,27,29)
InChIKeyVAWINITVVQYCJH-UHFFFAOYSA-N
MW445.93 g/mol
LogP5.88
Rot. Bonds4

About N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108809085) has the molecular formula C24H16ClN3O2S and a molecular weight of 445.93 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108809085
Molecular FormulaC24H16ClN3O2S
Molecular Weight445.93 g/mol
Exact Mass445.07
IUPAC NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)Nc3cccc(-c4csc(-c5ccccc5Cl)n4)c3)ccc2N1
InChIInChI=1S/C24H16ClN3O2S/c25-19-7-2-1-6-18(19)24-28-21(13-31-24)14-4-3-5-17(11-14)26-23(30)15-8-9-20-16(10-15)12-22(29)27-20/h1-11,13H,12H2,(H,26,30)(H,27,29)
InChIKeyVAWINITVVQYCJH-UHFFFAOYSA-N
XLogP5.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.93
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173848
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797869
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
CID 108748379
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784691
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797962
2-chloro-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110351139
N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784695
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108809085) is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)Nc3cccc(-c4csc(-c5ccccc5Cl)n4)c3)ccc2N1.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is VAWINITVVQYCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2S/c25-19-7-2-1-6-18(19)24-28-21(13-31-24)14-4-3-5-17(11-14)26-23(30)15-8-9-20-16(10-15)12-22(29)27-20/h1-11,13H,12H2,(H,26,30)(H,27,29).
What are the key properties of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108809085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).