1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one

C10H11N3OS — CID 60875855

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1csc(N)n1
InChIInChI=1S/C10H11N3OS/c1-7-3-2-4-9(14)13(7)5-8-6-15-10(11)12-8/h2-4,6H,5H2,1H3,(H2,11,12)
InChIKeyFNZHIODTAOGVAT-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.24
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one

1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one (PubChem CID 60875855) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one
PubChem CID60875855
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1csc(N)n1
InChIInChI=1S/C10H11N3OS/c1-7-3-2-4-9(14)13(7)5-8-6-15-10(11)12-8/h2-4,6H,5H2,1H3,(H2,11,12)
InChIKeyFNZHIODTAOGVAT-UHFFFAOYSA-N
XLogP1.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one (CID 60875855) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1Cc1csc(N)n1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one?
The InChIKey is FNZHIODTAOGVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-3-2-4-9(14)13(7)5-8-6-15-10(11)12-8/h2-4,6H,5H2,1H3,(H2,11,12).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one?
1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one has a molecular weight of 221.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 60875855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).