8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

C18H23FN4OS — CID 131640278

IUPAC8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOC3(CCCN(c4ncccc4F)C3)C2)cs1
InChIInChI=1S/C18H23FN4OS/c1-14-21-15(11-25-14)10-22-8-9-24-18(12-22)5-3-7-23(13-18)17-16(19)4-2-6-20-17/h2,4,6,11H,3,5,7-10,12-13H2,1H3
InChIKeyGGWJJDUCSDXLGH-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.86
Rot. Bonds3

About 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 131640278) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID131640278
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC Name8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOC3(CCCN(c4ncccc4F)C3)C2)cs1
InChIInChI=1S/C18H23FN4OS/c1-14-21-15(11-25-14)10-22-8-9-24-18(12-22)5-3-7-23(13-18)17-16(19)4-2-6-20-17/h2,4,6,11H,3,5,7-10,12-13H2,1H3
InChIKeyGGWJJDUCSDXLGH-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492378
(6R)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492089
(6S)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492090
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155854887
(6S)-8-(3-fluoro-2-pyridinyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396446
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492112
8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (CID 131640278) is 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nc(CN2CCOC3(CCCN(c4ncccc4F)C3)C2)cs1.
What is the InChIKey of 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is GGWJJDUCSDXLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-14-21-15(11-25-14)10-22-8-9-24-18(12-22)5-3-7-23(13-18)17-16(19)4-2-6-20-17/h2,4,6,11H,3,5,7-10,12-13H2,1H3.
What are the key properties of 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 362.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 131640278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).