5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one

C12H13FN2O2S — CID 99831395

IUPAC5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one
SMILESCO[C@H](C)c1nc(Cn2cc(F)ccc2=O)cs1
InChIInChI=1S/C12H13FN2O2S/c1-8(17-2)12-14-10(7-18-12)6-15-5-9(13)3-4-11(15)16/h3-5,7-8H,6H2,1-2H3/t8-/m1/s1
InChIKeyZDBZWLKGGMJMBU-MRVPVSSYSA-N
MW268.31 g/mol
LogP2.20
Rot. Bonds4

About 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one

5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one (PubChem CID 99831395) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one
PubChem CID99831395
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one
SMILESCO[C@H](C)c1nc(Cn2cc(F)ccc2=O)cs1
InChIInChI=1S/C12H13FN2O2S/c1-8(17-2)12-14-10(7-18-12)6-15-5-9(13)3-4-11(15)16/h3-5,7-8H,6H2,1-2H3/t8-/m1/s1
InChIKeyZDBZWLKGGMJMBU-MRVPVSSYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
4-[[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-2-[(1R)-1-methoxyethyl]-1,3-thiazole
CID 97220170
2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole
CID 99621422
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
CID 75468243
N-(3-chloro-4-fluorophenyl)-2-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]acetamide
CID 96535025
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97089492
5-ethyl-5-(4-fluorophenyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 55733924
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
(3aR)-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,1-dioxo-3a,4,5,6-tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3-one
CID 166267031

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one (CID 99831395) is 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one is CO[C@H](C)c1nc(Cn2cc(F)ccc2=O)cs1.
What is the InChIKey of 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one?
The InChIKey is ZDBZWLKGGMJMBU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-8(17-2)12-14-10(7-18-12)6-15-5-9(13)3-4-11(15)16/h3-5,7-8H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one?
5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one is sourced from PubChem (CID 99831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).