6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one

C10H12BrN3OS — CID 102417219

IUPAC6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one
SMILESCC1=CSC(c2c(Br)[nH]c(N)cc2=O)N1C
InChIInChI=1S/C10H12BrN3OS/c1-5-4-16-10(14(5)2)8-6(15)3-7(12)13-9(8)11/h3-4,10H,1-2H3,(H3,12,13,15)
InChIKeyLKTOGLTZZGQOME-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.26
Rot. Bonds1

About 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one

6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one (PubChem CID 102417219) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one
PubChem CID102417219
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one
SMILESCC1=CSC(c2c(Br)[nH]c(N)cc2=O)N1C
InChIInChI=1S/C10H12BrN3OS/c1-5-4-16-10(14(5)2)8-6(15)3-7(12)13-9(8)11/h3-4,10H,1-2H3,(H3,12,13,15)
InChIKeyLKTOGLTZZGQOME-UHFFFAOYSA-N
XLogP2.26
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one with MolForge

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Related Compounds

6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate
CID 20786943
7-amino-3-methyl-1-phenyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 14616443
2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one
CID 82997865
2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one
CID 174332092
(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid
CID 91882852
2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
CID 95841142
1-acetyl-6-amino-2-sulfanylidenepyrimidin-4-one
CID 45119596
3-(6-bromo-2-methylpyrimidin-4-yl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 114001460
(3R)-4-tert-butyl-2-methyl-3-methylsulfanyl-3,5-dihydropyrrolo[3,4-c]pyridine-1,6-dione
CID 129368897
6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130102466
6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131072345
6-amino-1-methyl-5H-triazolo[4,5-c]pyridin-4-one
CID 137276646

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one (CID 102417219) is 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one is CC1=CSC(c2c(Br)[nH]c(N)cc2=O)N1C.
What is the InChIKey of 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one?
The InChIKey is LKTOGLTZZGQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-5-4-16-10(14(5)2)8-6(15)3-7(12)13-9(8)11/h3-4,10H,1-2H3,(H3,12,13,15).
What are the key properties of 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one?
6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one has a molecular weight of 302.20 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 102417219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).