9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C19H24FN3OS — CID 97412436

IUPAC9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1ccc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cc1
InChIInChI=1S/C19H24FN3OS/c20-17-3-1-16(2-4-17)13-22-8-5-19(6-9-22)15-23(10-11-24-19)14-18-21-7-12-25-18/h1-4,7,12H,5-6,8-11,13-15H2
InChIKeyWLLZVRGTQRRJIW-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.15
Rot. Bonds4

About 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97412436) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97412436
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1ccc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cc1
InChIInChI=1S/C19H24FN3OS/c20-17-3-1-16(2-4-17)13-22-8-5-19(6-9-22)15-23(10-11-24-19)14-18-21-7-12-25-18/h1-4,7,12H,5-6,8-11,13-15H2
InChIKeyWLLZVRGTQRRJIW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97412436) is 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1ccc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is WLLZVRGTQRRJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c20-17-3-1-16(2-4-17)13-22-8-5-19(6-9-22)15-23(10-11-24-19)14-18-21-7-12-25-18/h1-4,7,12H,5-6,8-11,13-15H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 361.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97412436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).