4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C19H23FN2OS — CID 150837574

IUPAC4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(Cc1cscn1)CN1CCC2(CC1)OCc1cccc(F)c12
InChIInChI=1S/C19H23FN2OS/c1-14(9-16-12-24-13-21-16)10-22-7-5-19(6-8-22)18-15(11-23-19)3-2-4-17(18)20/h2-4,12-14H,5-11H2,1H3
InChIKeyKNHRCOCSWUBAGY-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.98
Rot. Bonds4

About 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]

4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 150837574) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID150837574
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(Cc1cscn1)CN1CCC2(CC1)OCc1cccc(F)c12
InChIInChI=1S/C19H23FN2OS/c1-14(9-16-12-24-13-21-16)10-22-7-5-19(6-8-22)18-15(11-23-19)3-2-4-17(18)20/h2-4,12-14H,5-11H2,1H3
InChIKeyKNHRCOCSWUBAGY-UHFFFAOYSA-N
XLogP3.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
CID 11315651
1'-[(4-phenyl-1,3-thiazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561302
1'-[(2-phenyl-1,3-thiazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561303
(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol
CID 164636140
2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
CID 11517295
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11518282
2-[(1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-(1,3-thiazol-4-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 11518727
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(1,3-thiazol-4-yl)propan-1-one
CID 11547099
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-1-(3-hydroxy-3-methylazetidin-1-yl)-3-(1,3-thiazol-4-yl)propan-1-one
CID 11583131
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-methoxy-2-methylpropyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11583734
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-hydroxyethyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11597233
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-methoxyethyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11597516

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 150837574) is 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine] is CC(Cc1cscn1)CN1CCC2(CC1)OCc1cccc(F)c12.
What is the InChIKey of 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is KNHRCOCSWUBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-14(9-16-12-24-13-21-16)10-22-7-5-19(6-8-22)18-15(11-23-19)3-2-4-17(18)20/h2-4,12-14H,5-11H2,1H3.
What are the key properties of 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 346.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1'-[2-methyl-3-(1,3-thiazol-4-yl)propyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 150837574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).