1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one

C14H14N2O3S — CID 71148421

IUPAC1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one
SMILESCOc1ccn(-c2nc(C)c(C(=O)C3CC3)s2)c(=O)c1
InChIInChI=1S/C14H14N2O3S/c1-8-13(12(18)9-3-4-9)20-14(15-8)16-6-5-10(19-2)7-11(16)17/h5-7,9H,3-4H2,1-2H3
InChIKeyYYANNLFNZOCSNN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.20
Rot. Bonds4

About 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one

1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one (PubChem CID 71148421) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one
PubChem CID71148421
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one
SMILESCOc1ccn(-c2nc(C)c(C(=O)C3CC3)s2)c(=O)c1
InChIInChI=1S/C14H14N2O3S/c1-8-13(12(18)9-3-4-9)20-14(15-8)16-6-5-10(19-2)7-11(16)17/h5-7,9H,3-4H2,1-2H3
InChIKeyYYANNLFNZOCSNN-UHFFFAOYSA-N
XLogP2.20
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one?
The IUPAC name of 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one (CID 71148421) is 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one.
What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one?
The canonical SMILES for 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one is COc1ccn(-c2nc(C)c(C(=O)C3CC3)s2)c(=O)c1.
What is the InChIKey of 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one?
The InChIKey is YYANNLFNZOCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-13(12(18)9-3-4-9)20-14(15-8)16-6-5-10(19-2)7-11(16)17/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one?
1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one is sourced from PubChem (CID 71148421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).