8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one

C14H15N5O2S — CID 167977261

IUPAC8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C1NCC(O)CC12CN(c1ccnc(-c3nccs3)n1)C2
InChIInChI=1S/C14H15N5O2S/c20-9-5-14(13(21)17-6-9)7-19(8-14)10-1-2-15-11(18-10)12-16-3-4-22-12/h1-4,9,20H,5-8H2,(H,17,21)
InChIKeyJTIBGKVBHDFVFF-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.29
Rot. Bonds2

About 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one

8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one (PubChem CID 167977261) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one.

Molecular Properties

Compound Name8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
PubChem CID167977261
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C1NCC(O)CC12CN(c1ccnc(-c3nccs3)n1)C2
InChIInChI=1S/C14H15N5O2S/c20-9-5-14(13(21)17-6-9)7-19(8-14)10-1-2-15-11(18-10)12-16-3-4-22-12/h1-4,9,20H,5-8H2,(H,17,21)
InChIKeyJTIBGKVBHDFVFF-UHFFFAOYSA-N
XLogP0.29
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
CID 138008485
4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 138050515
1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 166271591
2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole
CID 167807796
2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
CID 138019357
4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 138051737
4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
CID 82295356
3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]benzoic acid
CID 77084816
1-[2-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 122559185
5-[4-(3-fluoroazetidin-1-yl)pyrimidin-2-yl]thiophene-2-carboxylic acid
CID 178110060
1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74239468
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 124989644

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The IUPAC name of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one (CID 167977261) is 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one.
What is the SMILES notation for 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The canonical SMILES for 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one is O=C1NCC(O)CC12CN(c1ccnc(-c3nccs3)n1)C2.
What is the InChIKey of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The InChIKey is JTIBGKVBHDFVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c20-9-5-14(13(21)17-6-9)7-19(8-14)10-1-2-15-11(18-10)12-16-3-4-22-12/h1-4,9,20H,5-8H2,(H,17,21).
What are the key properties of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one has a molecular weight of 317.37 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one is sourced from PubChem (CID 167977261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).