1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one

C13H16N2OS — CID 115687910

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
SMILESCC(C)(C)c1csc(Cn2ccccc2=O)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)10-9-17-11(14-10)8-15-7-5-4-6-12(15)16/h4-7,9H,8H2,1-3H3
InChIKeyLXXCTAROFNBIEG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.65
Rot. Bonds2

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one (PubChem CID 115687910) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
PubChem CID115687910
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
SMILESCC(C)(C)c1csc(Cn2ccccc2=O)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)10-9-17-11(14-10)8-15-7-5-4-6-12(15)16/h4-7,9H,8H2,1-3H3
InChIKeyLXXCTAROFNBIEG-UHFFFAOYSA-N
XLogP2.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886597
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
CID 126773472
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625212
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
CID 114935834
4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793763
2-[(4-bromoindol-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 116626215
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687909
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 99781601
1-(2-amino-2-methylpropyl)pyridin-2-one
CID 82144133
4-tert-butyl-2-(1,4-diazepan-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 119906320
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129068
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 105118402

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one (CID 115687910) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one is CC(C)(C)c1csc(Cn2ccccc2=O)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is LXXCTAROFNBIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2,3)10-9-17-11(14-10)8-15-7-5-4-6-12(15)16/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 248.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 115687910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).