6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H20N4O2S3 — CID 63962286

IUPAC6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)NCC(C)CSC
InChIInChI=1S/C12H20N4O2S3/c1-4-13-10-11(16-5-6-20-12(16)15-10)21(17,18)14-7-9(2)8-19-3/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyFFHXLAIPNWBSFH-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.11
Rot. Bonds8

About 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63962286) has the molecular formula C12H20N4O2S3 and a molecular weight of 348.52 g/mol. Its IUPAC name is 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63962286
Molecular FormulaC12H20N4O2S3
Molecular Weight348.52 g/mol
Exact Mass348.07
IUPAC Name6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)NCC(C)CSC
InChIInChI=1S/C12H20N4O2S3/c1-4-13-10-11(16-5-6-20-12(16)15-10)21(17,18)14-7-9(2)8-19-3/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyFFHXLAIPNWBSFH-UHFFFAOYSA-N
XLogP2.11
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115408553
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145089
6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146640
N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962711
2-[[6-(propylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]acetamide
CID 62150050
6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114540075
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63837318
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62147094

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63962286) is 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCNc1nc2sccn2c1S(=O)(=O)NCC(C)CSC.
What is the InChIKey of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FFHXLAIPNWBSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S3/c1-4-13-10-11(16-5-6-20-12(16)15-10)21(17,18)14-7-9(2)8-19-3/h5-6,9,13-14H,4,7-8H2,1-3H3.
What are the key properties of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 348.52 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63962286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).