4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole

C19H25N3OS — CID 120907731

IUPAC4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(CN3CCC4(CCNC4)C3)cc2)cs1
InChIInChI=1S/C19H25N3OS/c1-15-21-17(12-24-15)11-23-18-4-2-16(3-5-18)10-22-9-7-19(14-22)6-8-20-13-19/h2-5,12,20H,6-11,13-14H2,1H3
InChIKeyALYDBKOXEVIHFN-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.22
Rot. Bonds5

About 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole

4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole (PubChem CID 120907731) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
PubChem CID120907731
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(CN3CCC4(CCNC4)C3)cc2)cs1
InChIInChI=1S/C19H25N3OS/c1-15-21-17(12-24-15)11-23-18-4-2-16(3-5-18)10-22-9-7-19(14-22)6-8-20-13-19/h2-5,12,20H,6-11,13-14H2,1H3
InChIKeyALYDBKOXEVIHFN-UHFFFAOYSA-N
XLogP3.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
CID 120907679
[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780374
2-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-8-methylimidazo[1,2-a]pyridine;hydrochloride
CID 120908582
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908350
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole (CID 120907731) is 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole is Cc1nc(COc2ccc(CN3CCC4(CCNC4)C3)cc2)cs1.
What is the InChIKey of 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole?
The InChIKey is ALYDBKOXEVIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-21-17(12-24-15)11-23-18-4-2-16(3-5-18)10-22-9-7-19(14-22)6-8-20-13-19/h2-5,12,20H,6-11,13-14H2,1H3.
What are the key properties of 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole?
4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 120907731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).