2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide

C22H15BrN2O2S — CID 52988773

IUPAC2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
SMILESBr.O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H14N2O2S.BrH/c25-21-17-7-3-4-8-18(17)22(26)24(21)12-20-23-19(13-27-20)16-10-9-14-5-1-2-6-15(14)11-16;/h1-11,13H,12H2;1H
InChIKeyBUKYMFVJSHUCNP-UHFFFAOYSA-N
MW451.35 g/mol
LogP5.34
Rot. Bonds3

About 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide

2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide (PubChem CID 52988773) has the molecular formula C22H15BrN2O2S and a molecular weight of 451.35 g/mol. Its IUPAC name is 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide.

Molecular Properties

Compound Name2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
PubChem CID52988773
Molecular FormulaC22H15BrN2O2S
Molecular Weight451.35 g/mol
Exact Mass450.00
IUPAC Name2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
SMILESBr.O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H14N2O2S.BrH/c25-21-17-7-3-4-8-18(17)22(26)24(21)12-20-23-19(13-27-20)16-10-9-14-5-1-2-6-15(14)11-16;/h1-11,13H,12H2;1H
InChIKeyBUKYMFVJSHUCNP-UHFFFAOYSA-N
XLogP5.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide with MolForge

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Related Compounds

4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
CID 57231798
2-[(4-methylpiperazin-1-yl)methyl]-3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]quinazolin-4-one;hydrochloride
CID 42917017
4-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione
CID 42172087
1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921814
2-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione
CID 52887124
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 1497777
1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one
CID 39948807
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 18089660
1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61338017
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866

Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
The IUPAC name of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide (CID 52988773) is 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide.
What is the SMILES notation for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
The canonical SMILES for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide is Br.O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
The InChIKey is BUKYMFVJSHUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S.BrH/c25-21-17-7-3-4-8-18(17)22(26)24(21)12-20-23-19(13-27-20)16-10-9-14-5-1-2-6-15(14)11-16;/h1-11,13H,12H2;1H.
What are the key properties of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide has a molecular weight of 451.35 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide is sourced from PubChem (CID 52988773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).