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

C17H29N3OS — CID 97375009

IUPAC2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESCOC[C@H]1CC2(CCN(Cc3nccs3)CC2)CN1C(C)C
InChIInChI=1S/C17H29N3OS/c1-14(2)20-13-17(10-15(20)12-21-3)4-7-19(8-5-17)11-16-18-6-9-22-16/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3/t15-/m1/s1
InChIKeyJHHBVQZBIBYOKB-OAHLLOKOSA-N
MW323.51 g/mol
LogP2.85
Rot. Bonds5

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

2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97375009) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97375009
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESCOC[C@H]1CC2(CCN(Cc3nccs3)CC2)CN1C(C)C
InChIInChI=1S/C17H29N3OS/c1-14(2)20-13-17(10-15(20)12-21-3)4-7-19(8-5-17)11-16-18-6-9-22-16/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3/t15-/m1/s1
InChIKeyJHHBVQZBIBYOKB-OAHLLOKOSA-N
XLogP2.85
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97375009) is 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is COC[C@H]1CC2(CCN(Cc3nccs3)CC2)CN1C(C)C.
What is the InChIKey of 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is JHHBVQZBIBYOKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-14(2)20-13-17(10-15(20)12-21-3)4-7-19(8-5-17)11-16-18-6-9-22-16/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 323.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97375009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).