2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

C18H25N5OS — CID 131639906

IUPAC2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESCOCC1CC2(CCN(Cc3nccs3)CC2)CN1c1ncccn1
InChIInChI=1S/C18H25N5OS/c1-24-13-15-11-18(14-23(15)17-20-5-2-6-21-17)3-8-22(9-4-18)12-16-19-7-10-25-16/h2,5-7,10,15H,3-4,8-9,11-14H2,1H3
InChIKeyKSNRNIPGIDCPFV-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.44
Rot. Bonds5

About 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 131639906) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID131639906
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESCOCC1CC2(CCN(Cc3nccs3)CC2)CN1c1ncccn1
InChIInChI=1S/C18H25N5OS/c1-24-13-15-11-18(14-23(15)17-20-5-2-6-21-17)3-8-22(9-4-18)12-16-19-7-10-25-16/h2,5-7,10,15H,3-4,8-9,11-14H2,1H3
InChIKeyKSNRNIPGIDCPFV-UHFFFAOYSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 131639906) is 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is COCC1CC2(CCN(Cc3nccs3)CC2)CN1c1ncccn1.
What is the InChIKey of 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is KSNRNIPGIDCPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-24-13-15-11-18(14-23(15)17-20-5-2-6-21-17)3-8-22(9-4-18)12-16-19-7-10-25-16/h2,5-7,10,15H,3-4,8-9,11-14H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 359.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131639906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).