1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

C12H13N3O2S — CID 134716857

IUPAC1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1cn2c(n1)SCC2
InChIInChI=1S/C12H13N3O2S/c1-8-4-10(16)5-11(17)15(8)7-9-6-14-2-3-18-12(14)13-9/h4-6,16H,2-3,7H2,1H3
InChIKeyVXZPONQZOVSXPD-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.21
Rot. Bonds2

About 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 134716857) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID134716857
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1cn2c(n1)SCC2
InChIInChI=1S/C12H13N3O2S/c1-8-4-10(16)5-11(17)15(8)7-9-6-14-2-3-18-12(14)13-9/h4-6,16H,2-3,7H2,1H3
InChIKeyVXZPONQZOVSXPD-UHFFFAOYSA-N
XLogP1.21
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 134716857) is 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1Cc1cn2c(n1)SCC2.
What is the InChIKey of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is VXZPONQZOVSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-4-10(16)5-11(17)15(8)7-9-6-14-2-3-18-12(14)13-9/h4-6,16H,2-3,7H2,1H3.
What are the key properties of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 134716857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).