6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

C15H13N3OS — CID 10016685

IUPAC6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2csc(-c3ccncc3)n2)c(=O)[nH]1
InChIInChI=1S/C15H13N3OS/c1-2-11-3-4-12(14(19)17-11)13-9-20-15(18-13)10-5-7-16-8-6-10/h3-9H,2H2,1H3,(H,17,19)
InChIKeyJLYKWPVKQCKWOV-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.12
Rot. Bonds3

About 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (PubChem CID 10016685) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
PubChem CID10016685
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2csc(-c3ccncc3)n2)c(=O)[nH]1
InChIInChI=1S/C15H13N3OS/c1-2-11-3-4-12(14(19)17-11)13-9-20-15(18-13)10-5-7-16-8-6-10/h3-9H,2H2,1H3,(H,17,19)
InChIKeyJLYKWPVKQCKWOV-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (CID 10016685) is 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is CCc1ccc(-c2csc(-c3ccncc3)n2)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The InChIKey is JLYKWPVKQCKWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-11-3-4-12(14(19)17-11)13-9-20-15(18-13)10-5-7-16-8-6-10/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one has a molecular weight of 283.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 10016685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).