1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one

C13H15FN2OS — CID 99831544

IUPAC1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one
SMILESCC(C)(C)c1nc(Cn2cc(F)ccc2=O)cs1
InChIInChI=1S/C13H15FN2OS/c1-13(2,3)12-15-10(8-18-12)7-16-6-9(14)4-5-11(16)17/h4-6,8H,7H2,1-3H3
InChIKeyCMUBVXIQNAZNCW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one (PubChem CID 99831544) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one
PubChem CID99831544
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one
SMILESCC(C)(C)c1nc(Cn2cc(F)ccc2=O)cs1
InChIInChI=1S/C13H15FN2OS/c1-13(2,3)12-15-10(8-18-12)7-16-6-9(14)4-5-11(16)17/h4-6,8H,7H2,1-3H3
InChIKeyCMUBVXIQNAZNCW-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one (CID 99831544) is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one is CC(C)(C)c1nc(Cn2cc(F)ccc2=O)cs1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one?
The InChIKey is CMUBVXIQNAZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-13(2,3)12-15-10(8-18-12)7-16-6-9(14)4-5-11(16)17/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one?
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 99831544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).