2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C12H10BrN3OS — CID 42654278

IUPAC2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1ccccc1Br)CC(=O)N2
InChIInChI=1S/C12H10BrN3OS/c13-8-4-2-1-3-6(8)7-5-9(17)15-11-10(7)18-12(14)16-11/h1-4,7H,5H2,(H2,14,16)(H,15,17)
InChIKeyIMMNULREJITFPY-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.96
Rot. Bonds1

About 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42654278) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42654278
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC Name2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1ccccc1Br)CC(=O)N2
InChIInChI=1S/C12H10BrN3OS/c13-8-4-2-1-3-6(8)7-5-9(17)15-11-10(7)18-12(14)16-11/h1-4,7H,5H2,(H2,14,16)(H,15,17)
InChIKeyIMMNULREJITFPY-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42654278) is 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)C(c1ccccc1Br)CC(=O)N2.
What is the InChIKey of 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is IMMNULREJITFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-8-4-2-1-3-6(8)7-5-9(17)15-11-10(7)18-12(14)16-11/h1-4,7H,5H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 324.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42654278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).