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

C14H18N2OS — CID 83130975

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc(Cc2nc(C(C)(C)C)cs2)c[nH]c1=O
InChIInChI=1S/C14H18N2OS/c1-9-5-10(7-15-13(9)17)6-12-16-11(8-18-12)14(2,3)4/h5,7-8H,6H2,1-4H3,(H,15,17)
InChIKeyJLQNUAHPTHXNEZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.03
Rot. Bonds2

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

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one (PubChem CID 83130975) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
PubChem CID83130975
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc(Cc2nc(C(C)(C)C)cs2)c[nH]c1=O
InChIInChI=1S/C14H18N2OS/c1-9-5-10(7-15-13(9)17)6-12-16-11(8-18-12)14(2,3)4/h5,7-8H,6H2,1-4H3,(H,15,17)
InChIKeyJLQNUAHPTHXNEZ-UHFFFAOYSA-N
XLogP3.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one (CID 83130975) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one is Cc1cc(Cc2nc(C(C)(C)C)cs2)c[nH]c1=O.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is JLQNUAHPTHXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-10(7-15-13(9)17)6-12-16-11(8-18-12)14(2,3)4/h5,7-8H,6H2,1-4H3,(H,15,17).
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one?
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 262.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 83130975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).