6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole

C13H17ClN4O2S2 — CID 56742521

IUPAC6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCCC2(CCNC2)C1
InChIInChI=1S/C13H17ClN4O2S2/c14-10-11(18-6-7-21-12(18)16-10)22(19,20)17-5-1-2-13(9-17)3-4-15-8-13/h6-7,15H,1-5,8-9H2
InChIKeyGKNAYANMJMJETG-UHFFFAOYSA-N
MW360.89 g/mol
LogP1.81
Rot. Bonds2

About 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole

6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 56742521) has the molecular formula C13H17ClN4O2S2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole
PubChem CID56742521
Molecular FormulaC13H17ClN4O2S2
Molecular Weight360.89 g/mol
Exact Mass360.05
IUPAC Name6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCCC2(CCNC2)C1
InChIInChI=1S/C13H17ClN4O2S2/c14-10-11(18-6-7-21-12(18)16-10)22(19,20)17-5-1-2-13(9-17)3-4-15-8-13/h6-7,15H,1-5,8-9H2
InChIKeyGKNAYANMJMJETG-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole (CID 56742521) is 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)N1CCCC2(CCNC2)C1.
What is the InChIKey of 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is GKNAYANMJMJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S2/c14-10-11(18-6-7-21-12(18)16-10)22(19,20)17-5-1-2-13(9-17)3-4-15-8-13/h6-7,15H,1-5,8-9H2.
What are the key properties of 6-chloro-5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole?
6-chloro-5-(2,7-diazaspiro[4.5]decan-7-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-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56742521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).