1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

C20H21ClN4O3S3 — CID 3827327

IUPAC1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccsc1)N1CCC2(CC1)CCN(S(=O)(=O)c1c(Cl)nc3sccn13)C2
InChIInChI=1S/C20H21ClN4O3S3/c21-17-18(25-10-12-30-19(25)22-17)31(27,28)24-9-6-20(14-24)4-7-23(8-5-20)16(26)2-1-15-3-11-29-13-15/h1-3,10-13H,4-9,14H2
InChIKeyIYCHSGZRNIXJJP-UHFFFAOYSA-N
MW497.07 g/mol
LogP3.83
Rot. Bonds4

About 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 3827327) has the molecular formula C20H21ClN4O3S3 and a molecular weight of 497.07 g/mol. Its IUPAC name is 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
PubChem CID3827327
Molecular FormulaC20H21ClN4O3S3
Molecular Weight497.07 g/mol
Exact Mass496.05
IUPAC Name1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccsc1)N1CCC2(CC1)CCN(S(=O)(=O)c1c(Cl)nc3sccn13)C2
InChIInChI=1S/C20H21ClN4O3S3/c21-17-18(25-10-12-30-19(25)22-17)31(27,28)24-9-6-20(14-24)4-7-23(8-5-20)16(26)2-1-15-3-11-29-13-15/h1-3,10-13H,4-9,14H2
InChIKeyIYCHSGZRNIXJJP-UHFFFAOYSA-N
XLogP3.83
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.07
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one (CID 3827327) is 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one is O=C(C=Cc1ccsc1)N1CCC2(CC1)CCN(S(=O)(=O)c1c(Cl)nc3sccn13)C2.
What is the InChIKey of 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is IYCHSGZRNIXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S3/c21-17-18(25-10-12-30-19(25)22-17)31(27,28)24-9-6-20(14-24)4-7-23(8-5-20)16(26)2-1-15-3-11-29-13-15/h1-3,10-13H,4-9,14H2.
What are the key properties of 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one?
1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 497.07 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 3827327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).