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

C17H23N5OS — CID 131656450

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOC3(CCCN(c4cnccn4)C3)C2)cs1
InChIInChI=1S/C17H23N5OS/c1-14-20-15(11-24-14)10-21-7-8-23-17(12-21)3-2-6-22(13-17)16-9-18-4-5-19-16/h4-5,9,11H,2-3,6-8,10,12-13H2,1H3
InChIKeyKJJPDIDRFGAKOC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.11
Rot. Bonds3

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

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 131656450) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID131656450
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOC3(CCCN(c4cnccn4)C3)C2)cs1
InChIInChI=1S/C17H23N5OS/c1-14-20-15(11-24-14)10-21-7-8-23-17(12-21)3-2-6-22(13-17)16-9-18-4-5-19-16/h4-5,9,11H,2-3,6-8,10,12-13H2,1H3
InChIKeyKJJPDIDRFGAKOC-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 131656450) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nc(CN2CCOC3(CCCN(c4cnccn4)C3)C2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is KJJPDIDRFGAKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14-20-15(11-24-14)10-21-7-8-23-17(12-21)3-2-6-22(13-17)16-9-18-4-5-19-16/h4-5,9,11H,2-3,6-8,10,12-13H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 345.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 131656450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).