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

C13H22N4O2S2 — CID 62146393

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H22N4O2S2/c1-9(13(2,3)4)16(6)21(18,19)11-10(14-5)15-12-17(11)7-8-20-12/h7-9,14H,1-6H3
InChIKeyZAMNRHHYRFWFJU-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.49
Rot. Bonds4

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

N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146393) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146393
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H22N4O2S2/c1-9(13(2,3)4)16(6)21(18,19)11-10(14-5)15-12-17(11)7-8-20-12/h7-9,14H,1-6H3
InChIKeyZAMNRHHYRFWFJU-UHFFFAOYSA-N
XLogP2.49
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146393) is N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ZAMNRHHYRFWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-9(13(2,3)4)16(6)21(18,19)11-10(14-5)15-12-17(11)7-8-20-12/h7-9,14H,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).