2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride

C18H22Cl3N3S — CID 120907328

IUPAC2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccc(Cl)c(-c2csc(CN3CCC4(CCNCC4)C3)n2)c1
InChIInChI=1S/C18H21Cl2N3S.ClH/c19-13-1-2-15(20)14(9-13)16-11-24-17(22-16)10-23-8-5-18(12-23)3-6-21-7-4-18;/h1-2,9,11,21H,3-8,10,12H2;1H
InChIKeyYBSDIEYMYSDXHM-UHFFFAOYSA-N
MW418.82 g/mol
LogP5.11
Rot. Bonds3

About 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride (PubChem CID 120907328) has the molecular formula C18H22Cl3N3S and a molecular weight of 418.82 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride
PubChem CID120907328
Molecular FormulaC18H22Cl3N3S
Molecular Weight418.82 g/mol
Exact Mass417.06
IUPAC Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccc(Cl)c(-c2csc(CN3CCC4(CCNCC4)C3)n2)c1
InChIInChI=1S/C18H21Cl2N3S.ClH/c19-13-1-2-15(20)14(9-13)16-11-24-17(22-16)10-23-8-5-18(12-23)3-6-21-7-4-18;/h1-2,9,11,21H,3-8,10,12H2;1H
InChIKeyYBSDIEYMYSDXHM-UHFFFAOYSA-N
XLogP5.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120968361
2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906918
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566839
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908373

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride (CID 120907328) is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride is Cl.Clc1ccc(Cl)c(-c2csc(CN3CCC4(CCNCC4)C3)n2)c1.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride?
The InChIKey is YBSDIEYMYSDXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3S.ClH/c19-13-1-2-15(20)14(9-13)16-11-24-17(22-16)10-23-8-5-18(12-23)3-6-21-7-4-18;/h1-2,9,11,21H,3-8,10,12H2;1H.
What are the key properties of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride?
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride has a molecular weight of 418.82 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120907328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).