(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol

C17H27N3O2S — CID 165422199

IUPAC(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(Cc1cnc(N3CCOCC3)s1)C2
InChIInChI=1S/C17H27N3O2S/c21-15-3-1-4-17(15)5-2-6-19(13-17)12-14-11-18-16(23-14)20-7-9-22-10-8-20/h11,15,21H,1-10,12-13H2/t15-,17+/m1/s1
InChIKeyMTWRDZQMXMPTIG-WBVHZDCISA-N
MW337.49 g/mol
LogP2.11
Rot. Bonds3

About (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165422199) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165422199
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(Cc1cnc(N3CCOCC3)s1)C2
InChIInChI=1S/C17H27N3O2S/c21-15-3-1-4-17(15)5-2-6-19(13-17)12-14-11-18-16(23-14)20-7-9-22-10-8-20/h11,15,21H,1-10,12-13H2/t15-,17+/m1/s1
InChIKeyMTWRDZQMXMPTIG-WBVHZDCISA-N
XLogP2.11
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72940573
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 70783509
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124751533
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
(2R,4R)-9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564842
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine
CID 45216938
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 165422199) is (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@@]12CCCN(Cc1cnc(N3CCOCC3)s1)C2.
What is the InChIKey of (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is MTWRDZQMXMPTIG-WBVHZDCISA-N. The full InChI is InChI=1S/C17H27N3O2S/c21-15-3-1-4-17(15)5-2-6-19(13-17)12-14-11-18-16(23-14)20-7-9-22-10-8-20/h11,15,21H,1-10,12-13H2/t15-,17+/m1/s1.
What are the key properties of (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 337.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165422199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).