3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one

C12H15N3OS — CID 82524566

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(-c2csc(N)n2)c(=O)n1C
InChIInChI=1S/C12H15N3OS/c1-7(2)10-5-4-8(11(16)15(10)3)9-6-17-12(13)14-9/h4-7H,1-3H3,(H2,13,14)
InChIKeyMPQSFEQAMGTLHK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.21
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one

3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one (PubChem CID 82524566) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one
PubChem CID82524566
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(-c2csc(N)n2)c(=O)n1C
InChIInChI=1S/C12H15N3OS/c1-7(2)10-5-4-8(11(16)15(10)3)9-6-17-12(13)14-9/h4-7H,1-3H3,(H2,13,14)
InChIKeyMPQSFEQAMGTLHK-UHFFFAOYSA-N
XLogP2.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one (CID 82524566) is 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one is CC(C)c1ccc(-c2csc(N)n2)c(=O)n1C.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one?
The InChIKey is MPQSFEQAMGTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7(2)10-5-4-8(11(16)15(10)3)9-6-17-12(13)14-9/h4-7H,1-3H3,(H2,13,14).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one?
3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one has a molecular weight of 249.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).