2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H26N4OS — CID 134072920

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCCC3(COCCN(c4ccccn4)C3)C2)cs1
InChIInChI=1S/C19H26N4OS/c1-16-21-17(12-25-16)11-22-8-4-6-19(13-22)14-23(9-10-24-15-19)18-5-2-3-7-20-18/h2-3,5,7,12H,4,6,8-11,13-15H2,1H3
InChIKeyWSNXTFIOCSSFAX-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.97
Rot. Bonds3

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 134072920) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID134072920
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCCC3(COCCN(c4ccccn4)C3)C2)cs1
InChIInChI=1S/C19H26N4OS/c1-16-21-17(12-25-16)11-22-8-4-6-19(13-22)14-23(9-10-24-15-19)18-5-2-3-7-20-18/h2-3,5,7,12H,4,6,8-11,13-15H2,1H3
InChIKeyWSNXTFIOCSSFAX-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651335
11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131659145
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
2-(pyridin-2-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070430
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492378
2-(6-methylpyridazin-3-yl)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640700
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 134072920) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is Cc1nc(CN2CCCC3(COCCN(c4ccccn4)C3)C2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is WSNXTFIOCSSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-16-21-17(12-25-16)11-22-8-4-6-19(13-22)14-23(9-10-24-15-19)18-5-2-3-7-20-18/h2-3,5,7,12H,4,6,8-11,13-15H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 358.51 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134072920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).