6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H16ClN3O3S2 — CID 82948195

IUPAC6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O3S2/c1-8(2)15(4-6-18-3)20(16,17)10-9(12)13-11-14(10)5-7-19-11/h5,7-8H,4,6H2,1-3H3
InChIKeyDBZBHWUJVDSCKJ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.09
Rot. Bonds6

About 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 82948195) has the molecular formula C11H16ClN3O3S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID82948195
Molecular FormulaC11H16ClN3O3S2
Molecular Weight337.85 g/mol
Exact Mass337.03
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O3S2/c1-8(2)15(4-6-18-3)20(16,17)10-9(12)13-11-14(10)5-7-19-11/h5,7-8H,4,6H2,1-3H3
InChIKeyDBZBHWUJVDSCKJ-UHFFFAOYSA-N
XLogP2.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 82948195) is 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is COCCN(C(C)C)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DBZBHWUJVDSCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2/c1-8(2)15(4-6-18-3)20(16,17)10-9(12)13-11-14(10)5-7-19-11/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 337.85 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 82948195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).