5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride

C15H20ClN3S2 — CID 120907613

IUPAC5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
SMILESCl.c1csc(-c2ncc(CN3CCC4(CCNC4)C3)s2)c1
InChIInChI=1S/C15H19N3S2.ClH/c1-2-13(19-7-1)14-17-8-12(20-14)9-18-6-4-15(11-18)3-5-16-10-15;/h1-2,7-8,16H,3-6,9-11H2;1H
InChIKeyKTTYQKUSXZJGJE-UHFFFAOYSA-N
MW341.93 g/mol
LogP3.48
Rot. Bonds3

About 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride

5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride (PubChem CID 120907613) has the molecular formula C15H20ClN3S2 and a molecular weight of 341.93 g/mol. Its IUPAC name is 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
PubChem CID120907613
Molecular FormulaC15H20ClN3S2
Molecular Weight341.93 g/mol
Exact Mass341.08
IUPAC Name5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
SMILESCl.c1csc(-c2ncc(CN3CCC4(CCNC4)C3)s2)c1
InChIInChI=1S/C15H19N3S2.ClH/c1-2-13(19-7-1)14-17-8-12(20-14)9-18-6-4-15(11-18)3-5-16-10-15;/h1-2,7-8,16H,3-6,9-11H2;1H
InChIKeyKTTYQKUSXZJGJE-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 120906913
methyl (3R)-3-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 97160607
2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
CID 82038614
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 120907392
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120825893
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride (CID 120907613) is 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride is Cl.c1csc(-c2ncc(CN3CCC4(CCNC4)C3)s2)c1.
What is the InChIKey of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
The InChIKey is KTTYQKUSXZJGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2.ClH/c1-2-13(19-7-1)14-17-8-12(20-14)9-18-6-4-15(11-18)3-5-16-10-15;/h1-2,7-8,16H,3-6,9-11H2;1H.
What are the key properties of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride has a molecular weight of 341.93 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120907613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).