6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole

C10H12ClN3O2S2 — CID 54882392

IUPAC6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESCC1CCCN1S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H12ClN3O2S2/c1-7-3-2-4-14(7)18(15,16)9-8(11)12-10-13(9)5-6-17-10/h5-7H,2-4H2,1H3
InChIKeyUFZLERJFJDLVCX-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.22
Rot. Bonds2

About 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole

6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 54882392) has the molecular formula C10H12ClN3O2S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID54882392
Molecular FormulaC10H12ClN3O2S2
Molecular Weight305.81 g/mol
Exact Mass305.01
IUPAC Name6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESCC1CCCN1S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H12ClN3O2S2/c1-7-3-2-4-14(7)18(15,16)9-8(11)12-10-13(9)5-6-17-10/h5-7H,2-4H2,1H3
InChIKeyUFZLERJFJDLVCX-UHFFFAOYSA-N
XLogP2.22
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole (CID 54882392) is 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole is CC1CCCN1S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The InChIKey is UFZLERJFJDLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S2/c1-7-3-2-4-14(7)18(15,16)9-8(11)12-10-13(9)5-6-17-10/h5-7H,2-4H2,1H3.
What are the key properties of 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 305.81 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 54882392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).