N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide

C14H17ClN6O2S2 — CID 59339394

IUPACN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
SMILESC/N=C(\NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC2(C=N1)CCCC2
InChIInChI=1S/C14H17ClN6O2S2/c1-16-12(21-9-14(8-17-21)4-2-3-5-14)19-25(22,23)11-10(15)18-13-20(11)6-7-24-13/h6-8H,2-5,9H2,1H3,(H,16,19)
InChIKeyQQVOHHZCBUPNPB-UHFFFAOYSA-N
MW400.92 g/mol
LogP2.18
Rot. Bonds2

About N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide

N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide (PubChem CID 59339394) has the molecular formula C14H17ClN6O2S2 and a molecular weight of 400.92 g/mol. Its IUPAC name is N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide.

Molecular Properties

Compound NameN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
PubChem CID59339394
Molecular FormulaC14H17ClN6O2S2
Molecular Weight400.92 g/mol
Exact Mass400.05
IUPAC NameN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
SMILESC/N=C(\NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC2(C=N1)CCCC2
InChIInChI=1S/C14H17ClN6O2S2/c1-16-12(21-9-14(8-17-21)4-2-3-5-14)19-25(22,23)11-10(15)18-13-20(11)6-7-24-13/h6-8H,2-5,9H2,1H3,(H,16,19)
InChIKeyQQVOHHZCBUPNPB-UHFFFAOYSA-N
XLogP2.18
TPSA91.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.92
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
The IUPAC name of 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) is N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide.
What is the SMILES notation for N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
The canonical SMILES for N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide is C/N=C(\NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC2(C=N1)CCCC2.
What is the InChIKey of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
The InChIKey is QQVOHHZCBUPNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2S2/c1-16-12(21-9-14(8-17-21)4-2-3-5-14)19-25(22,23)11-10(15)18-13-20(11)6-7-24-13/h6-8H,2-5,9H2,1H3,(H,16,19).
What are the key properties of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide has a molecular weight of 400.92 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-methyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide is sourced from PubChem (CID 59339394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).