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

C13H8ClN3O2S2 — CID 60814471

IUPAC6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C13H8ClN3O2S2/c1-2-9-4-3-5-10(8-9)16-21(18,19)12-11(14)15-13-17(12)6-7-20-13/h1,3-8,16H
InChIKeyWMRJWOSYLHGHQO-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.83
Rot. Bonds3

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

6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60814471) has the molecular formula C13H8ClN3O2S2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60814471
Molecular FormulaC13H8ClN3O2S2
Molecular Weight337.81 g/mol
Exact Mass336.97
IUPAC Name6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C13H8ClN3O2S2/c1-2-9-4-3-5-10(8-9)16-21(18,19)12-11(14)15-13-17(12)6-7-20-13/h1,3-8,16H
InChIKeyWMRJWOSYLHGHQO-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103744918
6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738
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-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 11408954
7-[(3-ethynylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47151104
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60814471) is 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is C#Cc1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1.
What is the InChIKey of 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is WMRJWOSYLHGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S2/c1-2-9-4-3-5-10(8-9)16-21(18,19)12-11(14)15-13-17(12)6-7-20-13/h1,3-8,16H.
What are the key properties of 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 337.81 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60814471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).