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

C13H17ClN6O2S2 — CID 70880684

IUPAC(4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1c(Cl)nc2sccn12)N1C[C@H](CC)C=N1
InChIInChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyXUEOUVHAJCNAJN-SECBINFHSA-N
MW388.91 g/mol
LogP2.03
Rot. Bonds4

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

(4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 70880684) has the molecular formula C13H17ClN6O2S2 and a molecular weight of 388.91 g/mol. Its IUPAC name is (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name(4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID70880684
Molecular FormulaC13H17ClN6O2S2
Molecular Weight388.91 g/mol
Exact Mass388.05
IUPAC Name(4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1c(Cl)nc2sccn12)N1C[C@H](CC)C=N1
InChIInChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyXUEOUVHAJCNAJN-SECBINFHSA-N
XLogP2.03
TPSA91.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 52.03
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 (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-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 (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (CID 70880684) is (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1c(Cl)nc2sccn12)N1C[C@H](CC)C=N1.
What is the InChIKey of (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is XUEOUVHAJCNAJN-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m1/s1.
What are the key properties of (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
(4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 388.91 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 70880684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).