6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole

C13H17ClN4O2S2 — CID 56718386

IUPAC6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H17ClN4O2S2/c14-10-11(18-7-8-21-12(18)16-10)22(19,20)17-6-3-13(9-17)1-4-15-5-2-13/h7-8,15H,1-6,9H2
InChIKeyAYMGIYJVSZKWTG-UHFFFAOYSA-N
MW360.89 g/mol
LogP1.81
Rot. Bonds2

About 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole

6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 56718386) has the molecular formula C13H17ClN4O2S2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole
PubChem CID56718386
Molecular FormulaC13H17ClN4O2S2
Molecular Weight360.89 g/mol
Exact Mass360.05
IUPAC Name6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H17ClN4O2S2/c14-10-11(18-7-8-21-12(18)16-10)22(19,20)17-6-3-13(9-17)1-4-15-5-2-13/h7-8,15H,1-6,9H2
InChIKeyAYMGIYJVSZKWTG-UHFFFAOYSA-N
XLogP1.81
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593797
7-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decane
CID 56742521
2-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56753967
6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79040422
6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115486679
6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 51118284
N-[rel-(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide hydrochloride
CID 56861632
5-(4-Butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
CID 58906102
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N',5-dimethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339330
N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide
CID 59339345
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339370
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
CID 59339394

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole (CID 56718386) is 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)N1CCC2(CCNCC2)C1.
What is the InChIKey of 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is AYMGIYJVSZKWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S2/c14-10-11(18-7-8-21-12(18)16-10)22(19,20)17-6-3-13(9-17)1-4-15-5-2-13/h7-8,15H,1-6,9H2.
What are the key properties of 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 360.89 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56718386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).