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

C17H21N5O2S — CID 97372269

IUPACpyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C17H21N5O2S/c23-16(14-11-18-3-4-19-14)22-6-1-17(2-7-22)13-21(8-9-24-17)12-15-20-5-10-25-15/h3-5,10-11H,1-2,6-9,12-13H2
InChIKeyPWXYDRQUSGKISQ-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.44
Rot. Bonds3

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

pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97372269) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97372269
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Namepyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C17H21N5O2S/c23-16(14-11-18-3-4-19-14)22-6-1-17(2-7-22)13-21(8-9-24-17)12-15-20-5-10-25-15/h3-5,10-11H,1-2,6-9,12-13H2
InChIKeyPWXYDRQUSGKISQ-UHFFFAOYSA-N
XLogP1.44
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyrazin-2-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450788
pyrrolidin-1-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450814
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131641286
[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 131951034
N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477542
1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one
CID 131683845
4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155853847
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
(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372423
(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131897861
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
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
CID 131932995

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97372269) is pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1nccs1)CCO2.
What is the InChIKey of pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is PWXYDRQUSGKISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-16(14-11-18-3-4-19-14)22-6-1-17(2-7-22)13-21(8-9-24-17)12-15-20-5-10-25-15/h3-5,10-11H,1-2,6-9,12-13H2.
What are the key properties of pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 359.46 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97372269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).