2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C14H17ClN4O3S2 — CID 56753967

IUPAC2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C2)C1=O
InChIInChI=1S/C14H17ClN4O3S2/c1-17-5-2-3-14(12(17)20)4-6-18(9-14)24(21,22)11-10(15)16-13-19(11)7-8-23-13/h7-8H,2-6,9H2,1H3
InChIKeyAEBBEMNPCANVJV-UHFFFAOYSA-N
MW388.90 g/mol
LogP1.68
Rot. Bonds2

About 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56753967) has the molecular formula C14H17ClN4O3S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56753967
Molecular FormulaC14H17ClN4O3S2
Molecular Weight388.90 g/mol
Exact Mass388.04
IUPAC Name2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C2)C1=O
InChIInChI=1S/C14H17ClN4O3S2/c1-17-5-2-3-14(12(17)20)4-6-18(9-14)24(21,22)11-10(15)16-13-19(11)7-8-23-13/h7-8H,2-6,9H2,1H3
InChIKeyAEBBEMNPCANVJV-UHFFFAOYSA-N
XLogP1.68
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56753967) is 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C2)C1=O.
What is the InChIKey of 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AEBBEMNPCANVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S2/c1-17-5-2-3-14(12(17)20)4-6-18(9-14)24(21,22)11-10(15)16-13-19(11)7-8-23-13/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 388.90 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56753967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).