pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

C16H19N5O2S — CID 134072513

IUPACpyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOC2(CCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H19N5O2S/c22-14(13-10-17-3-4-18-13)20-7-8-23-16(11-20)2-1-6-21(12-16)15-19-5-9-24-15/h3-5,9-10H,1-2,6-8,11-12H2
InChIKeyGZCYGTVBVWJLLN-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.44
Rot. Bonds2

About pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 134072513) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID134072513
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Namepyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOC2(CCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H19N5O2S/c22-14(13-10-17-3-4-18-13)20-7-8-23-16(11-20)2-1-6-21(12-16)15-19-5-9-24-15/h3-5,9-10H,1-2,6-8,11-12H2
InChIKeyGZCYGTVBVWJLLN-UHFFFAOYSA-N
XLogP1.44
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
(6-methyl-2-pyridinyl)-[(6S)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372447
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
pyridin-4-yl-[(6R)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97492317
(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
CID 134074050
(6S)-N,N-dimethyl-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97372463
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131652950
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131641286

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (CID 134072513) is pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is O=C(c1cnccn1)N1CCOC2(CCCN(c3nccs3)C2)C1.
What is the InChIKey of pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is GZCYGTVBVWJLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-14(13-10-17-3-4-18-13)20-7-8-23-16(11-20)2-1-6-21(12-16)15-19-5-9-24-15/h3-5,9-10H,1-2,6-8,11-12H2.
What are the key properties of pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 345.43 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 134072513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).