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

C10H14ClN3O3S2 — CID 65107340

IUPAC6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H14ClN3O3S2/c1-3-10(2,15)6-12-19(16,17)8-7(11)13-9-14(8)4-5-18-9/h4-5,12,15H,3,6H2,1-2H3
InChIKeyXWQRLKQNHJPEQM-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.49
Rot. Bonds5

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

6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 65107340) has the molecular formula C10H14ClN3O3S2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID65107340
Molecular FormulaC10H14ClN3O3S2
Molecular Weight323.83 g/mol
Exact Mass323.02
IUPAC Name6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H14ClN3O3S2/c1-3-10(2,15)6-12-19(16,17)8-7(11)13-9-14(8)4-5-18-9/h4-5,12,15H,3,6H2,1-2H3
InChIKeyXWQRLKQNHJPEQM-UHFFFAOYSA-N
XLogP1.49
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 65107340) is 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCC(C)(O)CNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is XWQRLKQNHJPEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S2/c1-3-10(2,15)6-12-19(16,17)8-7(11)13-9-14(8)4-5-18-9/h4-5,12,15H,3,6H2,1-2H3.
What are the key properties of 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 323.83 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 65107340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).