(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C15H17N5OS — CID 97374092

IUPAC(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@@]2(CCN(Cc3nccs3)C2)CN1c1cncnc1
InChIInChI=1S/C15H17N5OS/c21-14-5-15(10-20(14)12-6-16-11-17-7-12)1-3-19(9-15)8-13-18-2-4-22-13/h2,4,6-7,11H,1,3,5,8-10H2/t15-/m1/s1
InChIKeyZWAGOXFGMBEUGZ-OAHLLOKOSA-N
MW315.40 g/mol
LogP1.56
Rot. Bonds3

About (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374092) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374092
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@@]2(CCN(Cc3nccs3)C2)CN1c1cncnc1
InChIInChI=1S/C15H17N5OS/c21-14-5-15(10-20(14)12-6-16-11-17-7-12)1-3-19(9-15)8-13-18-2-4-22-13/h2,4,6-7,11H,1,3,5,8-10H2/t15-/m1/s1
InChIKeyZWAGOXFGMBEUGZ-OAHLLOKOSA-N
XLogP1.56
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131639386
2-(1,3-benzodioxol-5-yl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155853023
7-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745451
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648152
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
7-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745443
2-(3-methylbut-2-enyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72894081
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
[(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
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 159717779
2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131640685

Frequently Asked Questions

What is the IUPAC name of (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374092) is (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1C[C@@]2(CCN(Cc3nccs3)C2)CN1c1cncnc1.
What is the InChIKey of (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is ZWAGOXFGMBEUGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N5OS/c21-14-5-15(10-20(14)12-6-16-11-17-7-12)1-3-19(9-15)8-13-18-2-4-22-13/h2,4,6-7,11H,1,3,5,8-10H2/t15-/m1/s1.
What are the key properties of (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 315.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).