[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C17H19FN2O3S — CID 46067140

IUPAC[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCCCOc1ccc(-c2nc(C(=O)N3CCOCC3)cs2)c(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-2-7-23-12-3-4-13(14(18)10-12)16-19-15(11-24-16)17(21)20-5-8-22-9-6-20/h3-4,10-11H,2,5-9H2,1H3
InChIKeyHWSSCZAIPLYLOU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds5

About [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 46067140) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID46067140
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCCCOc1ccc(-c2nc(C(=O)N3CCOCC3)cs2)c(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-2-7-23-12-3-4-13(14(18)10-12)16-19-15(11-24-16)17(21)20-5-8-22-9-6-20/h3-4,10-11H,2,5-9H2,1H3
InChIKeyHWSSCZAIPLYLOU-UHFFFAOYSA-N
XLogP3.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46067142
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780
4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251703
morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
CID 42865751
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119646207
3-fluoro-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259249
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 42866233
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 46067140) is [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is CCCOc1ccc(-c2nc(C(=O)N3CCOCC3)cs2)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HWSSCZAIPLYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-2-7-23-12-3-4-13(14(18)10-12)16-19-15(11-24-16)17(21)20-5-8-22-9-6-20/h3-4,10-11H,2,5-9H2,1H3.
What are the key properties of [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 350.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46067140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).