(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C16H20N4O3S — CID 164700515

IUPAC(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1nc2sccn2c1C(=O)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C16H20N4O3S/c1-10-12(20-7-8-24-15(20)18-10)13(22)19-6-3-11(21)16(9-19)4-2-5-17-14(16)23/h7-8,11,21H,2-6,9H2,1H3,(H,17,23)/t11-,16-/m1/s1
InChIKeyAKMRKTTZNZROPQ-BDJLRTHQSA-N
MW348.43 g/mol
LogP0.81
Rot. Bonds1

About (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164700515) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164700515
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1nc2sccn2c1C(=O)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C16H20N4O3S/c1-10-12(20-7-8-24-15(20)18-10)13(22)19-6-3-11(21)16(9-19)4-2-5-17-14(16)23/h7-8,11,21H,2-6,9H2,1H3,(H,17,23)/t11-,16-/m1/s1
InChIKeyAKMRKTTZNZROPQ-BDJLRTHQSA-N
XLogP0.81
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164700515) is (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is Cc1nc2sccn2c1C(=O)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is AKMRKTTZNZROPQ-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-12(20-7-8-24-15(20)18-10)13(22)19-6-3-11(21)16(9-19)4-2-5-17-14(16)23/h7-8,11,21H,2-6,9H2,1H3,(H,17,23)/t11-,16-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 348.43 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164700515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).