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

C11H10N2OS — CID 115091334

IUPAC1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccccn2)s1
InChIInChI=1S/C11H10N2OS/c1-8(14)6-9-7-13-11(15-9)10-4-2-3-5-12-10/h2-5,7H,6H2,1H3
InChIKeyXTOGNNSMNXXRRS-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.34
Rot. Bonds3

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

1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one (PubChem CID 115091334) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
PubChem CID115091334
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccccn2)s1
InChIInChI=1S/C11H10N2OS/c1-8(14)6-9-7-13-11(15-9)10-4-2-3-5-12-10/h2-5,7H,6H2,1H3
InChIKeyXTOGNNSMNXXRRS-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091833
1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115091235
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 97021393
5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
CID 126697357
methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
CID 66989505
[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
CID 66990026
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
CID 111974588
N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828248
chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
CID 159437389

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one (CID 115091334) is 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one is CC(=O)Cc1cnc(-c2ccccn2)s1.
What is the InChIKey of 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one?
The InChIKey is XTOGNNSMNXXRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8(14)6-9-7-13-11(15-9)10-4-2-3-5-12-10/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one?
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one has a molecular weight of 218.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 115091334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).