3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one

C12H13N3OS — CID 82525174

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1ccc(-c2csc(N)n2)c(=O)n1C1CC1
InChIInChI=1S/C12H13N3OS/c1-7-2-5-9(10-6-17-12(13)14-10)11(16)15(7)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,13,14)
InChIKeyUUBQHUSDKVPLHS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.20
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one

3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 82525174) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID82525174
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1ccc(-c2csc(N)n2)c(=O)n1C1CC1
InChIInChI=1S/C12H13N3OS/c1-7-2-5-9(10-6-17-12(13)14-10)11(16)15(7)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,13,14)
InChIKeyUUBQHUSDKVPLHS-UHFFFAOYSA-N
XLogP2.20
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.20
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-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one (CID 82525174) is 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one is Cc1ccc(-c2csc(N)n2)c(=O)n1C1CC1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is UUBQHUSDKVPLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-2-5-9(10-6-17-12(13)14-10)11(16)15(7)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,13,14).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one?
3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.20, 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-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 82525174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).