(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C18H21FN4O2S — CID 131897861

IUPAC(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(c1ccncc1F)N1CCOC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C18H21FN4O2S/c19-15-11-20-4-1-14(15)17(24)23-8-9-25-18(13-23)2-6-22(7-3-18)12-16-21-5-10-26-16/h1,4-5,10-11H,2-3,6-9,12-13H2
InChIKeyKUAQDWPTMJNMKJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.18
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131897861) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131897861
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(c1ccncc1F)N1CCOC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C18H21FN4O2S/c19-15-11-20-4-1-14(15)17(24)23-8-9-25-18(13-23)2-6-22(7-3-18)12-16-21-5-10-26-16/h1,4-5,10-11H,2-3,6-9,12-13H2
InChIKeyKUAQDWPTMJNMKJ-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155853847
pyrrolidin-1-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450814
[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol
CID 131897692
9-pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155860242
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861
9-(pyridin-2-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696570
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131641286
pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3232838
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
furan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824954
1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one
CID 131683845

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 131897861) is (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is O=C(c1ccncc1F)N1CCOC2(CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is KUAQDWPTMJNMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c19-15-11-20-4-1-14(15)17(24)23-8-9-25-18(13-23)2-6-22(7-3-18)12-16-21-5-10-26-16/h1,4-5,10-11H,2-3,6-9,12-13H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131897861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).