1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one

C11H10N2O2S — CID 136993019

IUPAC1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(-c2ccccn2)nc1O
InChIInChI=1S/C11H10N2O2S/c1-2-8(14)9-10(15)13-11(16-9)7-5-3-4-6-12-7/h3-6,15H,2H2,1H3
InChIKeyRDVMJHWJHXCYAU-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one

1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 136993019) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
PubChem CID136993019
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(-c2ccccn2)nc1O
InChIInChI=1S/C11H10N2O2S/c1-2-8(14)9-10(15)13-11(16-9)7-5-3-4-6-12-7/h3-6,15H,2H2,1H3
InChIKeyRDVMJHWJHXCYAU-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 58504091
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one (CID 136993019) is 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1sc(-c2ccccn2)nc1O.
What is the InChIKey of 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is RDVMJHWJHXCYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-8(14)9-10(15)13-11(16-9)7-5-3-4-6-12-7/h3-6,15H,2H2,1H3.
What are the key properties of 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one?
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 234.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 136993019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).