(5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C15H25N3O2S — CID 97384830

IUPAC(5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@@]2(COCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H25N3O2S/c1-19-7-5-17-4-2-15(11-17)12-18(6-8-20-13-15)10-14-16-3-9-21-14/h3,9H,2,4-8,10-13H2,1H3/t15-/m1/s1
InChIKeyXWXYSVOXUZTHHJ-OAHLLOKOSA-N
MW311.45 g/mol
LogP1.31
Rot. Bonds5

About (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384830) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384830
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@@]2(COCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H25N3O2S/c1-19-7-5-17-4-2-15(11-17)12-18(6-8-20-13-15)10-14-16-3-9-21-14/h3,9H,2,4-8,10-13H2,1H3/t15-/m1/s1
InChIKeyXWXYSVOXUZTHHJ-OAHLLOKOSA-N
XLogP1.31
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-(Cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118745767
2-(Oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746964
2-(2-Methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155841241
10-Methylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 155859953
1-[(5aS,8aS)-7-(1,3-thiazol-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 125233695
N,N-dimethyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131639761
N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131647806
2-Methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
CID 131648509
10-Methylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131654684
8-(2-Methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072858
2-[1-(2-Methoxyethyl)pyrrolidin-3-yl]-1,3-thiazole
CID 140303107
2-[[(3R)-1,4-dimethylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 169672657

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384830) is (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is COCCN1CC[C@@]2(COCCN(Cc3nccs3)C2)C1.
What is the InChIKey of (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is XWXYSVOXUZTHHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-19-7-5-17-4-2-15(11-17)12-18(6-8-20-13-15)10-14-16-3-9-21-14/h3,9H,2,4-8,10-13H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 311.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-methoxyethyl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).