4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C16H21N5O2S — CID 118740874

IUPAC4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1cnc(N2CCOC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C16H21N5O2S/c1-13-8-18-14(19-9-13)20-4-6-23-16(10-20)11-21(3-5-22-12-16)15-17-2-7-24-15/h2,7-9H,3-6,10-12H2,1H3
InChIKeyLVSURTWIEFOTKF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.35
Rot. Bonds2

About 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118740874) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118740874
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1cnc(N2CCOC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C16H21N5O2S/c1-13-8-18-14(19-9-13)20-4-6-23-16(10-20)11-21(3-5-22-12-16)15-17-2-7-24-15/h2,7-9H,3-6,10-12H2,1H3
InChIKeyLVSURTWIEFOTKF-UHFFFAOYSA-N
XLogP1.35
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-Ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 84590359
2-(5-Methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118740876
8-Pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118743929
8-Pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118744817
2-(5-Fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746866
8-Pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118743928
8-Pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118744816
(6S)-2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494878
(6R)-2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494879
(5aR,9aS)-4-(5-ethylpyrimidin-2-yl)-8-(1,3-thiazol-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97511516
4-[5-(4-Methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]morpholine
CID 57833995
2-[4-[[2-(2-Methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole
CID 46981093

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118740874) is 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1cnc(N2CCOC3(COCCN(c4nccs4)C3)C2)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is LVSURTWIEFOTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-13-8-18-14(19-9-13)20-4-6-23-16(10-20)11-21(3-5-22-12-16)15-17-2-7-24-15/h2,7-9H,3-6,10-12H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 347.44 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)-8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118740874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).