1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one

C11H10N2OS — CID 112642235

IUPAC1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1ccccn1)Cc1cncs1
InChIInChI=1S/C11H10N2OS/c14-10(6-11-7-12-8-15-11)5-9-3-1-2-4-13-9/h1-4,7-8H,5-6H2
InChIKeyQCBRFYLUAAGORU-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.89
Rot. Bonds4

About 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one

1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 112642235) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID112642235
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1ccccn1)Cc1cncs1
InChIInChI=1S/C11H10N2OS/c14-10(6-11-7-12-8-15-11)5-9-3-1-2-4-13-9/h1-4,7-8H,5-6H2
InChIKeyQCBRFYLUAAGORU-UHFFFAOYSA-N
XLogP1.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Pyridin-2-yl)thiazol-5-yl)ethanone
CID 2768203
(E)-3-(dimethylamino)-1-[2-(2-pyridinyl)-1,3-thiazol-5-yl]-2-propen-1-one
CID 5929477
7-Phenyl-1-(5-(pyridin-2-yl)-thiazol-2-yl)-heptan-1-one
CID 24950364
(1E,4E)-1-pyridin-2-yl-5-(1,3-thiazol-2-yl)penta-1,4-dien-3-one
CID 145969168
1-(4-Methyl-2-(pyridin-2-yl)thiazol-5-yl)ethanone
CID 1488132
2-(2-Thiazolyl)pyridine
CID 13331901
N-methyl-3-pyridin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 71983771
N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 75431812
2-(5-Thiazolyl)pyridine
CID 15532486
1-Methyl-2-[3-oxo-3-(2-thienyl)propyl]pyridinium iodide
CID 2826971
3-Oxo-2-pyridin-2-yl-4-thiophen-2-ylbutanenitrile
CID 4964091
2-(1,3-Thiazol-2-ylmethyl)pyridine
CID 57109002

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one (CID 112642235) is 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1ccccn1)Cc1cncs1.
What is the InChIKey of 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is QCBRFYLUAAGORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-10(6-11-7-12-8-15-11)5-9-3-1-2-4-13-9/h1-4,7-8H,5-6H2.
What are the key properties of 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one?
1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 218.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 112642235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).