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

C11H18N4O2S2 — CID 62162472

IUPACN-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C11H18N4O2S2/c1-4-5-6-14(3)19(16,17)10-9(12-2)13-11-15(10)7-8-18-11/h7-8,12H,4-6H2,1-3H3
InChIKeyJOCRDWMOAXQQFF-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.86
Rot. Bonds6

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

N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62162472) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62162472
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC NameN-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C11H18N4O2S2/c1-4-5-6-14(3)19(16,17)10-9(12-2)13-11-15(10)7-8-18-11/h7-8,12H,4-6H2,1-3H3
InChIKeyJOCRDWMOAXQQFF-UHFFFAOYSA-N
XLogP1.86
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62162472) is N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCCN(C)S(=O)(=O)c1c(NC)nc2sccn12.
What is the InChIKey of N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JOCRDWMOAXQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-4-5-6-14(3)19(16,17)10-9(12-2)13-11-15(10)7-8-18-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 302.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62162472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).