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

C12H15ClN6O2S2 — CID 59339314

IUPACN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCCC1C=NN(/C(=N\C)NS(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C12H15ClN6O2S2/c1-3-8-6-15-19(7-8)11(14-2)17-23(20,21)10-9(13)16-12-18(10)4-5-22-12/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyJCGFUFQYXFTPFD-UHFFFAOYSA-N
MW374.88 g/mol
LogP1.64
Rot. Bonds3

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

N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339314) has the molecular formula C12H15ClN6O2S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339314
Molecular FormulaC12H15ClN6O2S2
Molecular Weight374.88 g/mol
Exact Mass374.04
IUPAC NameN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCCC1C=NN(/C(=N\C)NS(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C12H15ClN6O2S2/c1-3-8-6-15-19(7-8)11(14-2)17-23(20,21)10-9(13)16-12-18(10)4-5-22-12/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyJCGFUFQYXFTPFD-UHFFFAOYSA-N
XLogP1.64
TPSA91.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.64
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'}

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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-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339314) is N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-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-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide is CCC1C=NN(/C(=N\C)NS(=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-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is JCGFUFQYXFTPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O2S2/c1-3-8-6-15-19(7-8)11(14-2)17-23(20,21)10-9(13)16-12-18(10)4-5-22-12/h4-6,8H,3,7H2,1-2H3,(H,14,17).
What are the key properties of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 374.88 g/mol, XLogP of 1.64, 3 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-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).