(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone

C15H18N6O2S — CID 134074050

IUPAC(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCOC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H18N6O2S/c22-13(12-9-24-19-18-12)20-7-8-23-15(10-20)3-1-6-21(11-15)14-16-4-2-5-17-14/h2,4-5,9H,1,3,6-8,10-11H2
InChIKeyYDVOSCMBJVVHGJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.84
Rot. Bonds2

About (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone

(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone (PubChem CID 134074050) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
PubChem CID134074050
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCOC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H18N6O2S/c22-13(12-9-24-19-18-12)20-7-8-23-15(10-20)3-1-6-21(11-15)14-16-4-2-5-17-14/h2,4-5,9H,1,3,6-8,10-11H2
InChIKeyYDVOSCMBJVVHGJ-UHFFFAOYSA-N
XLogP0.84
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 134072513
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-thiophen-3-ylmethanone
CID 131649578
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
pyridin-4-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 134070473
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435

Frequently Asked Questions

What is the IUPAC name of (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone (CID 134074050) is (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCOC2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is YDVOSCMBJVVHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c22-13(12-9-24-19-18-12)20-7-8-23-15(10-20)3-1-6-21(11-15)14-16-4-2-5-17-14/h2,4-5,9H,1,3,6-8,10-11H2.
What are the key properties of (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone?
(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 346.42 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 134074050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).