pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C17H21N5O2S — CID 131641286

IUPACpyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(c1cnccn1)N1CCOCC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H21N5O2S/c23-16(14-9-18-2-3-19-14)22-6-7-24-13-17(12-22)1-5-21(11-17)10-15-20-4-8-25-15/h2-4,8-9H,1,5-7,10-13H2
InChIKeyDIKSKJBQBFIOQC-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.30
Rot. Bonds3

About pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 131641286) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID131641286
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Namepyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(c1cnccn1)N1CCOCC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H21N5O2S/c23-16(14-9-18-2-3-19-14)22-6-7-24-13-17(12-22)1-5-21(11-17)10-15-20-4-8-25-15/h2-4,8-9H,1,5-7,10-13H2
InChIKeyDIKSKJBQBFIOQC-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384978
[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384979
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859973
1H-pyrrol-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 134070761
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
(5S)-N-cyclopropyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 97392413
pyrrolidin-1-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
CID 155848604
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131684482
(5S)-10-methylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472248
(5S)-10-[(1-methylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384951
10-(5-methylpyrimidin-2-yl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 134070760
N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477542

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 131641286) is pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is O=C(c1cnccn1)N1CCOCC2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is DIKSKJBQBFIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-16(14-9-18-2-3-19-14)22-6-7-24-13-17(12-22)1-5-21(11-17)10-15-20-4-8-25-15/h2-4,8-9H,1,5-7,10-13H2.
What are the key properties of pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 359.46 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 131641286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).