5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole

C16H21N3S2 — CID 120906913

IUPAC5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
SMILESc1cc(-c2ncc(CN3CCC4(CCNCC4)C3)s2)cs1
InChIInChI=1S/C16H21N3S2/c1-8-20-11-13(1)15-18-9-14(21-15)10-19-7-4-16(12-19)2-5-17-6-3-16/h1,8-9,11,17H,2-7,10,12H2
InChIKeyXCJAKIWBNBBYSE-UHFFFAOYSA-N
MW319.50 g/mol
LogP3.45
Rot. Bonds3

About 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole

5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 120906913) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID120906913
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC Name5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
SMILESc1cc(-c2ncc(CN3CCC4(CCNCC4)C3)s2)cs1
InChIInChI=1S/C16H21N3S2/c1-8-20-11-13(1)15-18-9-14(21-15)10-19-7-4-16(12-19)2-5-17-6-3-16/h1,8-9,11,17H,2-7,10,12H2
InChIKeyXCJAKIWBNBBYSE-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120907613
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 120907392
7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
CID 167926234
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906918
[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769416
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120767400
1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 111974624
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole (CID 120906913) is 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole is c1cc(-c2ncc(CN3CCC4(CCNCC4)C3)s2)cs1.
What is the InChIKey of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is XCJAKIWBNBBYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-8-20-11-13(1)15-18-9-14(21-15)10-19-7-4-16(12-19)2-5-17-6-3-16/h1,8-9,11,17H,2-7,10,12H2.
What are the key properties of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole?
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 319.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 120906913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).