11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H23N5OS — CID 131643323

IUPAC11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(Cc4nccs4)C3)C2)cn1
InChIInChI=1S/C17H23N5OS/c1-2-17(12-21(6-1)11-16-20-5-9-24-16)13-22(7-8-23-14-17)15-10-18-3-4-19-15/h3-5,9-10H,1-2,6-8,11-14H2
InChIKeyREVILBCQVAJTFI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.05
Rot. Bonds3

About 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 131643323) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID131643323
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(Cc4nccs4)C3)C2)cn1
InChIInChI=1S/C17H23N5OS/c1-2-17(12-21(6-1)11-16-20-5-9-24-16)13-22(7-8-23-14-17)15-10-18-3-4-19-15/h3-5,9-10H,1-2,6-8,11-14H2
InChIKeyREVILBCQVAJTFI-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 131643323) is 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(CCCN(Cc4nccs4)C3)C2)cn1.
What is the InChIKey of 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is REVILBCQVAJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-17(12-21(6-1)11-16-20-5-9-24-16)13-22(7-8-23-14-17)15-10-18-3-4-19-15/h3-5,9-10H,1-2,6-8,11-14H2.
What are the key properties of 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 345.47 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131643323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).