4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole

C19H31N3OS — CID 118745721

IUPAC4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CC2(CCN(CC3CC3)CC2)CN1Cc1csc(C)n1
InChIInChI=1S/C19H31N3OS/c1-15-20-17(13-24-15)11-22-14-19(9-18(22)12-23-2)5-7-21(8-6-19)10-16-3-4-16/h13,16,18H,3-12,14H2,1-2H3
InChIKeyNEQQWLCRQGXVHS-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.16
Rot. Bonds6

About 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole

4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 118745721) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID118745721
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CC2(CCN(CC3CC3)CC2)CN1Cc1csc(C)n1
InChIInChI=1S/C19H31N3OS/c1-15-20-17(13-24-15)11-22-14-19(9-18(22)12-23-2)5-7-21(8-6-19)10-16-3-4-16/h13,16,18H,3-12,14H2,1-2H3
InChIKeyNEQQWLCRQGXVHS-UHFFFAOYSA-N
XLogP3.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131647203
4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 124803036
4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131640207
3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131649184
(3aS,5R,7aS)-5-(cyclopropylmethoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461172
8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131662117
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
(5S)-N-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491239
(3aS,5R,7aS)-5-(ethoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387185
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 97476268

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole (CID 118745721) is 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole is COCC1CC2(CCN(CC3CC3)CC2)CN1Cc1csc(C)n1.
What is the InChIKey of 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is NEQQWLCRQGXVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15-20-17(13-24-15)11-22-14-19(9-18(22)12-23-2)5-7-21(8-6-19)10-16-3-4-16/h13,16,18H,3-12,14H2,1-2H3.
What are the key properties of 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 349.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).