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

C17H29N3OS — CID 97375010

IUPAC2-[[(3S)-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-/m0/s1
InChIKeyJHHBVQZBIBYOKB-HNNXBMFYSA-N
MW323.51 g/mol
LogP2.85
Rot. Bonds5

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

2-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97375010) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97375010
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[[(3S)-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-/m0/s1
InChIKeyJHHBVQZBIBYOKB-HNNXBMFYSA-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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Related Compounds

[3-Propyl-1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methanol
CID 72878293
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97385057
(2R,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97392664
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118745959
2-(Oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746964
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
6-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 132399123
2-[[3-(Methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155845960
2-[[8-(2-Methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155854250
2-[[3-(Methoxymethyl)-8-(oxolan-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155854980
2-[[8-(Cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155854993

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97375010) is 2-[[(3S)-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-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3S)-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-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is JHHBVQZBIBYOKB-HNNXBMFYSA-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-/m0/s1.
What are the key properties of 2-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[(3S)-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-[[(3S)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97375010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).