2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione

C12H7BrN2O2S — CID 60785294

IUPAC2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ncc(Br)s1)C2=O
InChIInChI=1S/C12H7BrN2O2S/c1-6-2-3-7-8(4-6)11(17)15(10(7)16)12-14-5-9(13)18-12/h2-5H,1H3
InChIKeyQHDQHAJZOYMBER-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.01
Rot. Bonds1

About 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione

2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione (PubChem CID 60785294) has the molecular formula C12H7BrN2O2S and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione
PubChem CID60785294
Molecular FormulaC12H7BrN2O2S
Molecular Weight323.17 g/mol
Exact Mass321.94
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ncc(Br)s1)C2=O
InChIInChI=1S/C12H7BrN2O2S/c1-6-2-3-7-8(4-6)11(17)15(10(7)16)12-14-5-9(13)18-12/h2-5H,1H3
InChIKeyQHDQHAJZOYMBER-UHFFFAOYSA-N
XLogP3.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione
CID 1205605
6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 146184012
2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 81274397
2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione
CID 115910819
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
CID 144533118
CID 144533118
5-amino-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione
CID 61474688
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 43345930
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
2-(methoxyamino)-5-methylisoindole-1,3-dione
CID 167279341

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione (CID 60785294) is 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1ncc(Br)s1)C2=O.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione?
The InChIKey is QHDQHAJZOYMBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2S/c1-6-2-3-7-8(4-6)11(17)15(10(7)16)12-14-5-9(13)18-12/h2-5H,1H3.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione?
2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione has a molecular weight of 323.17 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 60785294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).