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

C12H18ClN3O3S2 — CID 103270391

IUPAC6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1c(Cl)nc2sccn12)C(C)C
InChIInChI=1S/C12H18ClN3O3S2/c1-4-19-7-9(8(2)3)15-21(17,18)11-10(13)14-12-16(11)5-6-20-12/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyFLMZBSMTRGRSDP-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.39
Rot. Bonds7

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

6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 103270391) has the molecular formula C12H18ClN3O3S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID103270391
Molecular FormulaC12H18ClN3O3S2
Molecular Weight351.88 g/mol
Exact Mass351.05
IUPAC Name6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1c(Cl)nc2sccn12)C(C)C
InChIInChI=1S/C12H18ClN3O3S2/c1-4-19-7-9(8(2)3)15-21(17,18)11-10(13)14-12-16(11)5-6-20-12/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyFLMZBSMTRGRSDP-UHFFFAOYSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-(2-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate
CID 61051278
6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103947096
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 82948195

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 103270391) is 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCOCC(NS(=O)(=O)c1c(Cl)nc2sccn12)C(C)C.
What is the InChIKey of 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FLMZBSMTRGRSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S2/c1-4-19-7-9(8(2)3)15-21(17,18)11-10(13)14-12-16(11)5-6-20-12/h5-6,8-9,15H,4,7H2,1-3H3.
What are the key properties of 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 351.88 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 103270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).