3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one

C9H7BrN2OS — CID 146643685

IUPAC3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCc1cnc(-n2cccc(Br)c2=O)s1
InChIInChI=1S/C9H7BrN2OS/c1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13/h2-5H,1H3
InChIKeyPSIIUGLAYQLMIP-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.36
Rot. Bonds1

About 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one

3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 146643685) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID146643685
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCc1cnc(-n2cccc(Br)c2=O)s1
InChIInChI=1S/C9H7BrN2OS/c1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13/h2-5H,1H3
InChIKeyPSIIUGLAYQLMIP-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Bromothiazol-2-YL)pyridin-2(1H)-one
CID 45787747
5-Bromo-1-methyl-3-(5-methylthiazol-2-ylamino)pyridin-2(1H)-one
CID 86683953
3-Amino-5-chloro-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 137449781
3-Amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 137450282
Ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 142523302
3-(Methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 142523303
1-(5-Methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one
CID 146635159
3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 175016144
1-(5-Methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 176887841
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24645365
1-(5-Methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
CID 28502542
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxopyridine-4-carboxamide
CID 37679217

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one (CID 146643685) is 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one is Cc1cnc(-n2cccc(Br)c2=O)s1.
What is the InChIKey of 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is PSIIUGLAYQLMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13/h2-5H,1H3.
What are the key properties of 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 271.14 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 146643685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).