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

C12H12N2O2S — CID 118609209

IUPAC1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(-c2cccnc2)nc1OC
InChIInChI=1S/C12H12N2O2S/c1-3-9(15)10-11(16-2)14-12(17-10)8-5-4-6-13-7-8/h4-7H,3H2,1-2H3
InChIKeyAXQIGCNQCISMRS-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.81
Rot. Bonds4

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

1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 118609209) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
PubChem CID118609209
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(-c2cccnc2)nc1OC
InChIInChI=1S/C12H12N2O2S/c1-3-9(15)10-11(16-2)14-12(17-10)8-5-4-6-13-7-8/h4-7H,3H2,1-2H3
InChIKeyAXQIGCNQCISMRS-UHFFFAOYSA-N
XLogP2.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
CID 118609224
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
1-[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 118609241
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
CID 118609248
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
(E)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 90440045

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one (CID 118609209) is 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1sc(-c2cccnc2)nc1OC.
What is the InChIKey of 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is AXQIGCNQCISMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-3-9(15)10-11(16-2)14-12(17-10)8-5-4-6-13-7-8/h4-7H,3H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one?
1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 248.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 118609209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).