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

C15H19N5O2S — CID 118744817

IUPAC8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(C2)CN(c2nccs2)CCO3)nc1
InChIInChI=1S/C15H19N5O2S/c1-2-16-13(17-3-1)19-5-7-21-12-15(10-19)11-20(6-8-22-15)14-18-4-9-23-14/h1-4,9H,5-8,10-12H2
InChIKeyZUMAWDZRJXWTHA-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.05
Rot. Bonds2

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

8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118744817) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118744817
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(C2)CN(c2nccs2)CCO3)nc1
InChIInChI=1S/C15H19N5O2S/c1-2-16-13(17-3-1)19-5-7-21-12-15(10-19)11-20(6-8-22-15)14-18-4-9-23-14/h1-4,9H,5-8,10-12H2
InChIKeyZUMAWDZRJXWTHA-UHFFFAOYSA-N
XLogP1.05
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118744817) is 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(C2)CN(c2nccs2)CCO3)nc1.
What is the InChIKey of 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is ZUMAWDZRJXWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-2-16-13(17-3-1)19-5-7-21-12-15(10-19)11-20(6-8-22-15)14-18-4-9-23-14/h1-4,9H,5-8,10-12H2.
What are the key properties of 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 333.42 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118744817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).