4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C16H23N3O3S — CID 136566068

IUPAC4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC(C)c1scnc1C(=O)N1CCC2(CC1)CC(O)CNC2=O
InChIInChI=1S/C16H23N3O3S/c1-10(2)13-12(18-9-23-13)14(21)19-5-3-16(4-6-19)7-11(20)8-17-15(16)22/h9-11,20H,3-8H2,1-2H3,(H,17,22)
InChIKeyIIYSAFOETGBIDI-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.37
Rot. Bonds2

About 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 136566068) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID136566068
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC(C)c1scnc1C(=O)N1CCC2(CC1)CC(O)CNC2=O
InChIInChI=1S/C16H23N3O3S/c1-10(2)13-12(18-9-23-13)14(21)19-5-3-16(4-6-19)7-11(20)8-17-15(16)22/h9-11,20H,3-8H2,1-2H3,(H,17,22)
InChIKeyIIYSAFOETGBIDI-UHFFFAOYSA-N
XLogP1.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 154849837
(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 164640929
4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
CID 126824791
4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 170509540
(3S,4R)-4-hydroxy-9-(6-methylpyridine-2-carbonyl)-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160682
8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662428
9-(1,3-benzothiazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 167946855
(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
CID 117214816
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785
1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one
CID 131931284
8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one
CID 138050623
2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 171915518

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 136566068) is 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is CC(C)c1scnc1C(=O)N1CCC2(CC1)CC(O)CNC2=O.
What is the InChIKey of 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is IIYSAFOETGBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10(2)13-12(18-9-23-13)14(21)19-5-3-16(4-6-19)7-11(20)8-17-15(16)22/h9-11,20H,3-8H2,1-2H3,(H,17,22).
What are the key properties of 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 337.45 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 136566068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).