3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride

C7H7ClN2O2S2 — CID 82382635

IUPAC3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
SMILESCc1nc2scc(C)n2c1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClN2O2S2/c1-4-3-13-7-9-5(2)6(10(4)7)14(8,11)12/h3H,1-2H3
InChIKeyJMYATDXBESWCNI-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.94
Rot. Bonds1

About 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride

3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride (PubChem CID 82382635) has the molecular formula C7H7ClN2O2S2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
PubChem CID82382635
Molecular FormulaC7H7ClN2O2S2
Molecular Weight250.73 g/mol
Exact Mass249.96
IUPAC Name3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
SMILESCc1nc2scc(C)n2c1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClN2O2S2/c1-4-3-13-7-9-5(2)6(10(4)7)14(8,11)12/h3H,1-2H3
InChIKeyJMYATDXBESWCNI-UHFFFAOYSA-N
XLogP1.94
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
CID 130631470
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid
CID 96604955
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 51560712
N-cyclopropyl-3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82395564
3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 76997232
N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 22432776
1-[2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)cyclopropyl]-N-methylmethanamine
CID 82228531
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 82364440
5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole
CID 79322992
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
CID 9075334

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride?
The IUPAC name of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride (CID 82382635) is 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride.
What is the SMILES notation for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride?
The canonical SMILES for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride is Cc1nc2scc(C)n2c1S(=O)(=O)Cl.
What is the InChIKey of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride?
The InChIKey is JMYATDXBESWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S2/c1-4-3-13-7-9-5(2)6(10(4)7)14(8,11)12/h3H,1-2H3.
What are the key properties of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride?
3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride has a molecular weight of 250.73 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride is sourced from PubChem (CID 82382635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).