5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one

C19H18FN3O3S — CID 123580666

IUPAC5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(OC3CCNC(c4ccc(F)cn4)C3)cc2)S(=O)N1
InChIInChI=1S/C19H18FN3O3S/c20-13-3-6-16(22-11-13)17-9-15(7-8-21-17)26-14-4-1-12(2-5-14)18-10-19(24)23-27(18)25/h1-6,10-11,15,17,21H,7-9H2,(H,23,24)
InChIKeyUUAYQINFUVUUNO-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.23
Rot. Bonds4

About 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 123580666) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID123580666
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(OC3CCNC(c4ccc(F)cn4)C3)cc2)S(=O)N1
InChIInChI=1S/C19H18FN3O3S/c20-13-3-6-16(22-11-13)17-9-15(7-8-21-17)26-14-4-1-12(2-5-14)18-10-19(24)23-27(18)25/h1-6,10-11,15,17,21H,7-9H2,(H,23,24)
InChIKeyUUAYQINFUVUUNO-UHFFFAOYSA-N
XLogP2.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one with MolForge

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Related Compounds

(5Z)-5-[[4-(2-pyridin-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 15717185
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 882473
3-phenyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 71664025
(Z)-5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
CID 10937126
5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
CID 53394892
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 46944232
1-[3-(4-fluorophenoxy)propyl]-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 49790156
1-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperidin-4-amine
CID 56662296
(3E,6E)-3-[(4-fluorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 5471995
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534
N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide
CID 47083044
N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 51097218

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one (CID 123580666) is 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(c2ccc(OC3CCNC(c4ccc(F)cn4)C3)cc2)S(=O)N1.
What is the InChIKey of 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is UUAYQINFUVUUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-13-3-6-16(22-11-13)17-9-15(7-8-21-17)26-14-4-1-12(2-5-14)18-10-19(24)23-27(18)25/h1-6,10-11,15,17,21H,7-9H2,(H,23,24).
What are the key properties of 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one?
5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 387.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(5-fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 123580666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).