(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C16H23N3O2S — CID 124967124

IUPAC(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCc1nc2sccn2c1CN1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C16H23N3O2S/c1-12-13(19-8-10-22-15(19)17-12)11-18-6-4-16(5-7-18)14(20)3-2-9-21-16/h8,10,14,20H,2-7,9,11H2,1H3/t14-/m1/s1
InChIKeyIQQSLUACERQZMQ-CQSZACIVSA-N
MW321.45 g/mol
LogP2.21
Rot. Bonds2

About (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 124967124) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID124967124
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCc1nc2sccn2c1CN1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C16H23N3O2S/c1-12-13(19-8-10-22-15(19)17-12)11-18-6-4-16(5-7-18)14(20)3-2-9-21-16/h8,10,14,20H,2-7,9,11H2,1H3/t14-/m1/s1
InChIKeyIQQSLUACERQZMQ-CQSZACIVSA-N
XLogP2.21
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124967123
(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 110159702
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 77097043
N,N,2-trimethyl-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 110268368
2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97199455
(5S)-9-[(2-ethylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99935784
2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 51905413
N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463128
1-[(3aR,8aR)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110136278
9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 110156796
5-[(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 72906237

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 124967124) is (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is Cc1nc2sccn2c1CN1CCC2(CC1)OCCC[C@H]2O.
What is the InChIKey of (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is IQQSLUACERQZMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-13(19-8-10-22-15(19)17-12)11-18-6-4-16(5-7-18)14(20)3-2-9-21-16/h8,10,14,20H,2-7,9,11H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 321.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 124967124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).