9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H19N5O3S — CID 155508952

IUPAC9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C17H19N5O3S/c1-2-11-12(26-14(21-11)13-18-6-4-7-19-13)15(23)22-8-3-5-17(10-22)9-20-16(24)25-17/h4,6-7H,2-3,5,8-10H2,1H3,(H,20,24)
InChIKeyMUOGRGFUJZXIGO-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.88
Rot. Bonds3

About 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 155508952) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID155508952
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C17H19N5O3S/c1-2-11-12(26-14(21-11)13-18-6-4-7-19-13)15(23)22-8-3-5-17(10-22)9-20-16(24)25-17/h4,6-7H,2-3,5,8-10H2,1H3,(H,20,24)
InChIKeyMUOGRGFUJZXIGO-UHFFFAOYSA-N
XLogP1.88
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 95722187
9-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
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(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
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[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 154822017
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 154821155
(5S)-9-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715470
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
(5R)-9-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
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Frequently Asked Questions

What is the IUPAC name of 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 155508952) is 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1nc(-c2ncccn2)sc1C(=O)N1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is MUOGRGFUJZXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-2-11-12(26-14(21-11)13-18-6-4-7-19-13)15(23)22-8-3-5-17(10-22)9-20-16(24)25-17/h4,6-7H,2-3,5,8-10H2,1H3,(H,20,24).
What are the key properties of 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 373.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155508952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).