N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide

C11H13ClN6O2S2 — CID 59339305

IUPACN'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCCC1C=NN(/C(N)=N/S(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C11H13ClN6O2S2/c1-2-7-5-14-18(6-7)10(13)16-22(19,20)9-8(12)15-11-17(9)3-4-21-11/h3-5,7H,2,6H2,1H3,(H2,13,16)
InChIKeyGKBPDFJNLGAPMV-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.38
Rot. Bonds3

About N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide

N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339305) has the molecular formula C11H13ClN6O2S2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339305
Molecular FormulaC11H13ClN6O2S2
Molecular Weight360.85 g/mol
Exact Mass360.02
IUPAC NameN'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCCC1C=NN(/C(N)=N/S(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C11H13ClN6O2S2/c1-2-7-5-14-18(6-7)10(13)16-22(19,20)9-8(12)15-11-17(9)3-4-21-11/h3-5,7H,2,6H2,1H3,(H2,13,16)
InChIKeyGKBPDFJNLGAPMV-UHFFFAOYSA-N
XLogP1.38
TPSA105.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339305) is N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide is CCC1C=NN(/C(N)=N/S(=O)(=O)c2c(Cl)nc3sccn23)C1.
What is the InChIKey of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is GKBPDFJNLGAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O2S2/c1-2-7-5-14-18(6-7)10(13)16-22(19,20)9-8(12)15-11-17(9)3-4-21-11/h3-5,7H,2,6H2,1H3,(H2,13,16).
What are the key properties of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide?
N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 360.85 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).