6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H8Cl2N4O2S2 — CID 103744918

IUPAC6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)cnc1Cl
InChIInChI=1S/C11H8Cl2N4O2S2/c1-6-4-7(5-14-8(6)12)16-21(18,19)10-9(13)15-11-17(10)2-3-20-11/h2-5,16H,1H3
InChIKeyXMUTVRGUSYQRCY-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.21
Rot. Bonds3

About 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 103744918) has the molecular formula C11H8Cl2N4O2S2 and a molecular weight of 363.25 g/mol. Its IUPAC name is 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID103744918
Molecular FormulaC11H8Cl2N4O2S2
Molecular Weight363.25 g/mol
Exact Mass361.95
IUPAC Name6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)cnc1Cl
InChIInChI=1S/C11H8Cl2N4O2S2/c1-6-4-7(5-14-8(6)12)16-21(18,19)10-9(13)15-11-17(10)2-3-20-11/h2-5,16H,1H3
InChIKeyXMUTVRGUSYQRCY-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79735975
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814471
6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852
6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60902472

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 103744918) is 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)cnc1Cl.
What is the InChIKey of 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is XMUTVRGUSYQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2S2/c1-6-4-7(5-14-8(6)12)16-21(18,19)10-9(13)15-11-17(10)2-3-20-11/h2-5,16H,1H3.
What are the key properties of 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 363.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 103744918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).