1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

C17H25N3O3S — CID 124962828

IUPAC1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3cncs3)CC2)C[C@@H](O)C1(C)C
InChIInChI=1S/C17H25N3O3S/c1-12(21)20-10-17(8-14(22)16(20,2)3)4-6-19(7-5-17)15(23)13-9-18-11-24-13/h9,11,14,22H,4-8,10H2,1-3H3/t14-/m1/s1
InChIKeyHLTNDUOFMJOYMZ-CQSZACIVSA-N
MW351.47 g/mol
LogP1.76
Rot. Bonds1

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

1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (PubChem CID 124962828) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
PubChem CID124962828
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3cncs3)CC2)C[C@@H](O)C1(C)C
InChIInChI=1S/C17H25N3O3S/c1-12(21)20-10-17(8-14(22)16(20,2)3)4-6-19(7-5-17)15(23)13-9-18-11-24-13/h9,11,14,22H,4-8,10H2,1-3H3/t14-/m1/s1
InChIKeyHLTNDUOFMJOYMZ-CQSZACIVSA-N
XLogP1.76
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazol-5-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124975835
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 110156043
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125009214
1-[4-hydroxy-3,3-dimethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 155987928
(E)-1-(2-acetyl-4-hydroxy-3,3-dimethyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-(1H-imidazol-5-yl)prop-2-en-1-one
CID 132770926
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 163317334
1-[(4aS,8aS)-8a-methyl-5-(1,3-thiazole-5-carbonyl)-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110140196
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125011492
1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124941194

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The IUPAC name of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (CID 124962828) is 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is CC(=O)N1CC2(CCN(C(=O)c3cncs3)CC2)C[C@@H](O)C1(C)C.
What is the InChIKey of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The InChIKey is HLTNDUOFMJOYMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12(21)20-10-17(8-14(22)16(20,2)3)4-6-19(7-5-17)15(23)13-9-18-11-24-13/h9,11,14,22H,4-8,10H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone has a molecular weight of 351.47 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is sourced from PubChem (CID 124962828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).