2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone

C20H23FN2O2S — CID 126771577

IUPAC2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H23FN2O2S/c21-16-6-4-15(5-7-16)17-13-26-18(22-17)12-19(24)23-10-11-25-20(14-23)8-2-1-3-9-20/h4-7,13H,1-3,8-12,14H2
InChIKeyQZQZBCHKXVECCN-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.05
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone (PubChem CID 126771577) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
PubChem CID126771577
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H23FN2O2S/c21-16-6-4-15(5-7-16)17-13-26-18(22-17)12-19(24)23-10-11-25-20(14-23)8-2-1-3-9-20/h4-7,13H,1-3,8-12,14H2
InChIKeyQZQZBCHKXVECCN-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone (CID 126771577) is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone is O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
The InChIKey is QZQZBCHKXVECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c21-16-6-4-15(5-7-16)17-13-26-18(22-17)12-19(24)23-10-11-25-20(14-23)8-2-1-3-9-20/h4-7,13H,1-3,8-12,14H2.
What are the key properties of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone has a molecular weight of 374.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone is sourced from PubChem (CID 126771577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).