7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane

C17H21N3OS2 — CID 133143009

IUPAC7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESCc1nc(COC2CSC3(C2)CN(Cc2ccccn2)C3)cs1
InChIInChI=1S/C17H21N3OS2/c1-13-19-15(9-22-13)8-21-16-6-17(23-10-16)11-20(12-17)7-14-4-2-3-5-18-14/h2-5,9,16H,6-8,10-12H2,1H3
InChIKeyQYRPAMJJJMXUTI-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.12
Rot. Bonds5

About 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane

7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 133143009) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
PubChem CID133143009
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESCc1nc(COC2CSC3(C2)CN(Cc2ccccn2)C3)cs1
InChIInChI=1S/C17H21N3OS2/c1-13-19-15(9-22-13)8-21-16-6-17(23-10-16)11-20(12-17)7-14-4-2-3-5-18-14/h2-5,9,16H,6-8,10-12H2,1H3
InChIKeyQYRPAMJJJMXUTI-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane with MolForge

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Related Compounds

(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124798745
2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677258
5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole
CID 131653853
[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124810905
2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155865776
pyridin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677620
4-[[(7S,8aR)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 125191349
(1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124821967
(3-methylfuran-2-yl)-[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893632
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131647834
[(7R)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124916047
2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692577

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane (CID 133143009) is 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane is Cc1nc(COC2CSC3(C2)CN(Cc2ccccn2)C3)cs1.
What is the InChIKey of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is QYRPAMJJJMXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-13-19-15(9-22-13)8-21-16-6-17(23-10-16)11-20(12-17)7-14-4-2-3-5-18-14/h2-5,9,16H,6-8,10-12H2,1H3.
What are the key properties of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 347.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 133143009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).