3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C17H21N3OS — CID 118745904

IUPAC3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(Cc4nccs4)CC3)C2)c1
InChIInChI=1S/C17H21N3OS/c1-2-14(11-18-5-1)15-10-17(21-13-15)3-7-20(8-4-17)12-16-19-6-9-22-16/h1-2,5-6,9,11,15H,3-4,7-8,10,12-13H2
InChIKeyOKMFAUSQYYQAAJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.08
Rot. Bonds3

About 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745904) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745904
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(Cc4nccs4)CC3)C2)c1
InChIInChI=1S/C17H21N3OS/c1-2-14(11-18-5-1)15-10-17(21-13-15)3-7-20(8-4-17)12-16-19-6-9-22-16/h1-2,5-6,9,11,15H,3-4,7-8,10,12-13H2
InChIKeyOKMFAUSQYYQAAJ-UHFFFAOYSA-N
XLogP3.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aS,5R,7aS)-5-(pyridin-3-ylmethoxymethyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461236
4-[[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 97470229
4-[[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 97470614
4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97470931
N-methyl-N-(pyridin-2-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739717
3-Pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 118745889
3-Pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 118745891
8-[(5-Methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746334
N-methyl-N-(pyridin-3-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118747070
5-[[4-(Oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 86771142
(2R)-2-pyridin-3-yl-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 97892539
3-Pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118745888

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 118745904) is 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cncc(C2COC3(CCN(Cc4nccs4)CC3)C2)c1.
What is the InChIKey of 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is OKMFAUSQYYQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-14(11-18-5-1)15-10-17(21-13-15)3-7-20(8-4-17)12-16-19-6-9-22-16/h1-2,5-6,9,11,15H,3-4,7-8,10,12-13H2.
What are the key properties of 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 315.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).