10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C19H24FN3OS — CID 118745803

IUPAC10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESFc1ccc(CN2CCOCC3(CCN(Cc4nccs4)C3)C2)cc1
InChIInChI=1S/C19H24FN3OS/c20-17-3-1-16(2-4-17)11-23-8-9-24-15-19(14-23)5-7-22(13-19)12-18-21-6-10-25-18/h1-4,6,10H,5,7-9,11-15H2
InChIKeyACCIQITVOKZIPE-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.01
Rot. Bonds4

About 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118745803) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118745803
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESFc1ccc(CN2CCOCC3(CCN(Cc4nccs4)C3)C2)cc1
InChIInChI=1S/C19H24FN3OS/c20-17-3-1-16(2-4-17)11-23-8-9-24-15-19(14-23)5-7-22(13-19)12-18-21-6-10-25-18/h1-4,6,10H,5,7-9,11-15H2
InChIKeyACCIQITVOKZIPE-UHFFFAOYSA-N
XLogP3.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

2-[[2-[(4-Fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370013
N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine
CID 118738991
N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744094
2-[1-(2-Fluorobenzyl)-4-(1,3-thiazol-2-ylmethyl)-2-piperazinyl]ethanol
CID 45242331
(2-Fluorobenzyl)(2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine
CID 50958317
10-[(4-Fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118745802
2-[(2R)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 29024935
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 29024938
(5R)-10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384960
(5S)-10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384961
9-[(4-Fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97412436
2-[[(5R)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482872

Frequently Asked Questions

What is the IUPAC name of 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118745803) is 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is Fc1ccc(CN2CCOCC3(CCN(Cc4nccs4)C3)C2)cc1.
What is the InChIKey of 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is ACCIQITVOKZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c20-17-3-1-16(2-4-17)11-23-8-9-24-15-19(14-23)5-7-22(13-19)12-18-21-6-10-25-18/h1-4,6,10H,5,7-9,11-15H2.
What are the key properties of 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 361.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118745803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).