(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C17H23N5OS — CID 97492374

IUPAC(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC[C@]3(C2)CN(c2cnccn2)CCO3)cs1
InChIInChI=1S/C17H23N5OS/c1-14-20-15(11-24-14)10-21-6-2-3-17(12-21)13-22(7-8-23-17)16-9-18-4-5-19-16/h4-5,9,11H,2-3,6-8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyFENMQUOUKGTQGJ-KRWDZBQOSA-N
MW345.47 g/mol
LogP2.11
Rot. Bonds3

About (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492374) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492374
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC[C@]3(C2)CN(c2cnccn2)CCO3)cs1
InChIInChI=1S/C17H23N5OS/c1-14-20-15(11-24-14)10-21-6-2-3-17(12-21)13-22(7-8-23-17)16-9-18-4-5-19-16/h4-5,9,11H,2-3,6-8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyFENMQUOUKGTQGJ-KRWDZBQOSA-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 (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492374) is (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nc(CN2CCC[C@]3(C2)CN(c2cnccn2)CCO3)cs1.
What is the InChIKey of (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is FENMQUOUKGTQGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14-20-15(11-24-14)10-21-6-2-3-17(12-21)13-22(7-8-23-17)16-9-18-4-5-19-16/h4-5,9,11H,2-3,6-8,10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-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 (6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).