N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C19H16Cl2N2O2S — CID 155815768

IUPACN-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCC12SCC(C(=O)NCc3ccc(Cl)cc3Cl)N1C(=O)c1ccccc12
InChIInChI=1S/C19H16Cl2N2O2S/c1-19-14-5-3-2-4-13(14)18(25)23(19)16(10-26-19)17(24)22-9-11-6-7-12(20)8-15(11)21/h2-8,16H,9-10H2,1H3,(H,22,24)
InChIKeyAWJVUNACOHCHFT-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.05
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 155815768) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID155815768
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCC12SCC(C(=O)NCc3ccc(Cl)cc3Cl)N1C(=O)c1ccccc12
InChIInChI=1S/C19H16Cl2N2O2S/c1-19-14-5-3-2-4-13(14)18(25)23(19)16(10-26-19)17(24)22-9-11-6-7-12(20)8-15(11)21/h2-8,16H,9-10H2,1H3,(H,22,24)
InChIKeyAWJVUNACOHCHFT-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-ethyl-4,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 42641128
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551398
(3R,9bR)-N-[(2,4-dichlorophenyl)methyl]-6,7-dimethoxy-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 40884514
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 44591948
N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17431239
(3R,9bR)-N-[(2-chlorophenyl)methyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7732441
7a-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43024937
(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71463313

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 155815768) is N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is CC12SCC(C(=O)NCc3ccc(Cl)cc3Cl)N1C(=O)c1ccccc12.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is AWJVUNACOHCHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-19-14-5-3-2-4-13(14)18(25)23(19)16(10-26-19)17(24)22-9-11-6-7-12(20)8-15(11)21/h2-8,16H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 407.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 155815768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).