3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one

C10H10N2OS — CID 164682783

IUPAC3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one
SMILESCCn1cc(-c2cccnc2)sc1=O
InChIInChI=1S/C10H10N2OS/c1-2-12-7-9(14-10(12)13)8-4-3-5-11-6-8/h3-7H,2H2,1H3
InChIKeyLIARAIPXZYMZER-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.99
Rot. Bonds2

About 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one

3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one (PubChem CID 164682783) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one
PubChem CID164682783
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one
SMILESCCn1cc(-c2cccnc2)sc1=O
InChIInChI=1S/C10H10N2OS/c1-2-12-7-9(14-10(12)13)8-4-3-5-11-6-8/h3-7H,2H2,1H3
InChIKeyLIARAIPXZYMZER-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one (CID 164682783) is 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one is CCn1cc(-c2cccnc2)sc1=O.
What is the InChIKey of 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one?
The InChIKey is LIARAIPXZYMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-12-7-9(14-10(12)13)8-4-3-5-11-6-8/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one?
3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one has a molecular weight of 206.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-pyridin-3-yl-1,3-thiazol-2-one is sourced from PubChem (CID 164682783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).