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

C14H19ClN6O2S2 — CID 59339370

IUPACN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C(C)=N1
InChIInChI=1S/C14H19ClN6O2S2/c1-4-10-8-21(18-9(10)3)13(16-5-2)19-25(22,23)12-11(15)17-14-20(12)6-7-24-14/h6-7,10H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyGGJJOYIAKRVOBS-UHFFFAOYSA-N
MW402.93 g/mol
LogP2.42
Rot. Bonds4

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

N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339370) has the molecular formula C14H19ClN6O2S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339370
Molecular FormulaC14H19ClN6O2S2
Molecular Weight402.93 g/mol
Exact Mass402.07
IUPAC NameN-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C(C)=N1
InChIInChI=1S/C14H19ClN6O2S2/c1-4-10-8-21(18-9(10)3)13(16-5-2)19-25(22,23)12-11(15)17-14-20(12)6-7-24-14/h6-7,10H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyGGJJOYIAKRVOBS-UHFFFAOYSA-N
XLogP2.42
TPSA91.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 52.42
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-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339370) is N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C(C)=N1.
What is the InChIKey of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is GGJJOYIAKRVOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2S2/c1-4-10-8-21(18-9(10)3)13(16-5-2)19-25(22,23)12-11(15)17-14-20(12)6-7-24-14/h6-7,10H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide?
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 402.93 g/mol, XLogP of 2.42, 4 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',4-diethyl-5-methyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).