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

C19H26ClN3OS — CID 120907679

IUPAC4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
SMILESCc1ccc(OCc2nc(CN3CCC4(CCNC4)C3)cs2)cc1.Cl
InChIInChI=1S/C19H25N3OS.ClH/c1-15-2-4-17(5-3-15)23-11-18-21-16(12-24-18)10-22-9-7-19(14-22)6-8-20-13-19;/h2-5,12,20H,6-11,13-14H2,1H3;1H
InChIKeyROVZVBZYBYXWPQ-UHFFFAOYSA-N
MW379.96 g/mol
LogP3.64
Rot. Bonds5

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

4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120907679) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
PubChem CID120907679
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC Name4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
SMILESCc1ccc(OCc2nc(CN3CCC4(CCNC4)C3)cs2)cc1.Cl
InChIInChI=1S/C19H25N3OS.ClH/c1-15-2-4-17(5-3-15)23-11-18-21-16(12-24-18)10-22-9-7-19(14-22)6-8-20-13-19;/h2-5,12,20H,6-11,13-14H2,1H3;1H
InChIKeyROVZVBZYBYXWPQ-UHFFFAOYSA-N
XLogP3.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
CID 120907731
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434
2-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-8-methylimidazo[1,2-a]pyridine;hydrochloride
CID 120908582
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride (CID 120907679) is 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride is Cc1ccc(OCc2nc(CN3CCC4(CCNC4)C3)cs2)cc1.Cl.
What is the InChIKey of 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is ROVZVBZYBYXWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.ClH/c1-15-2-4-17(5-3-15)23-11-18-21-16(12-24-18)10-22-9-7-19(14-22)6-8-20-13-19;/h2-5,12,20H,6-11,13-14H2,1H3;1H.
What are the key properties of 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride?
4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 379.96 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120907679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).