1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one

C11H12N2OS — CID 115687909

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nc(Cn2ccccc2=O)sc1C
InChIInChI=1S/C11H12N2OS/c1-8-9(2)15-10(12-8)7-13-6-4-3-5-11(13)14/h3-6H,7H2,1-2H3
InChIKeyZGETWPQWXZRBKQ-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.97
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one (PubChem CID 115687909) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
PubChem CID115687909
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nc(Cn2ccccc2=O)sc1C
InChIInChI=1S/C11H12N2OS/c1-8-9(2)15-10(12-8)7-13-6-4-3-5-11(13)14/h3-6H,7H2,1-2H3
InChIKeyZGETWPQWXZRBKQ-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one (CID 115687909) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one is Cc1nc(Cn2ccccc2=O)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is ZGETWPQWXZRBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-9(2)15-10(12-8)7-13-6-4-3-5-11(13)14/h3-6H,7H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 220.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 115687909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).