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

C12H15ClN6O2S2 — CID 59339345

IUPACN'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide
SMILESCC1=NN(/C(N)=N/S(=O)(=O)c2c(Cl)nc3sccn23)CC1(C)C
InChIInChI=1S/C12H15ClN6O2S2/c1-7-12(2,3)6-19(16-7)10(14)17-23(20,21)9-8(13)15-11-18(9)4-5-22-11/h4-5H,6H2,1-3H3,(H2,14,17)
InChIKeyPYUKIUYEKBGDDN-UHFFFAOYSA-N
MW374.88 g/mol
LogP1.77
Rot. Bonds2

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

N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide (PubChem CID 59339345) 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-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide.

Molecular Properties

Compound NameN'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide
PubChem CID59339345
Molecular FormulaC12H15ClN6O2S2
Molecular Weight374.88 g/mol
Exact Mass374.04
IUPAC NameN'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide
SMILESCC1=NN(/C(N)=N/S(=O)(=O)c2c(Cl)nc3sccn23)CC1(C)C
InChIInChI=1S/C12H15ClN6O2S2/c1-7-12(2,3)6-19(16-7)10(14)17-23(20,21)9-8(13)15-11-18(9)4-5-22-11/h4-5H,6H2,1-3H3,(H2,14,17)
InChIKeyPYUKIUYEKBGDDN-UHFFFAOYSA-N
XLogP1.77
TPSA105.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.77
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'}

Analyze N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-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-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide?
The IUPAC name of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide (CID 59339345) is N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide.
What is the SMILES notation for N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide?
The canonical SMILES for N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide is CC1=NN(/C(N)=N/S(=O)(=O)c2c(Cl)nc3sccn23)CC1(C)C.
What is the InChIKey of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide?
The InChIKey is PYUKIUYEKBGDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O2S2/c1-7-12(2,3)6-19(16-7)10(14)17-23(20,21)9-8(13)15-11-18(9)4-5-22-11/h4-5H,6H2,1-3H3,(H2,14,17).
What are the key properties of N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide?
N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide has a molecular weight of 374.88 g/mol, XLogP of 1.77, 2 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-4,4,5-trimethyl-3H-pyrazole-2-carboximidamide is sourced from PubChem (CID 59339345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).