N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H20N4O2S3 — CID 115987152

IUPACN-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C12H20N4O2S3/c1-5-9(8-19-4)15(3)21(17,18)11-10(13-2)14-12-16(11)6-7-20-12/h6-7,9,13H,5,8H2,1-4H3
InChIKeyHODXEZPDPKZUEM-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.20
Rot. Bonds7

About N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115987152) has the molecular formula C12H20N4O2S3 and a molecular weight of 348.52 g/mol. Its IUPAC name is N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115987152
Molecular FormulaC12H20N4O2S3
Molecular Weight348.52 g/mol
Exact Mass348.07
IUPAC NameN-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C12H20N4O2S3/c1-5-9(8-19-4)15(3)21(17,18)11-10(13-2)14-12-16(11)6-7-20-12/h6-7,9,13H,5,8H2,1-4H3
InChIKeyHODXEZPDPKZUEM-UHFFFAOYSA-N
XLogP2.20
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149455
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146393
N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62162472
N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62148135
N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158734
6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146640
6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962711
N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63859228
N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158615
N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 104554221
N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115638895

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115987152) is N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1c(NC)nc2sccn12.
What is the InChIKey of N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HODXEZPDPKZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S3/c1-5-9(8-19-4)15(3)21(17,18)11-10(13-2)14-12-16(11)6-7-20-12/h6-7,9,13H,5,8H2,1-4H3.
What are the key properties of N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 348.52 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115987152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).