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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).