6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H18N4O3S2 — CID 62157989

IUPAC6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C12H18N4O3S2/c1-15(8-9-4-2-3-6-19-9)21(17,18)11-10(13)14-12-16(11)5-7-20-12/h5,7,9H,2-4,6,8,13H2,1H3
InChIKeyWFBZABSVDBQODM-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.17
Rot. Bonds4

About 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62157989) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62157989
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C12H18N4O3S2/c1-15(8-9-4-2-3-6-19-9)21(17,18)11-10(13)14-12-16(11)5-7-20-12/h5,7,9H,2-4,6,8,13H2,1H3
InChIKeyWFBZABSVDBQODM-UHFFFAOYSA-N
XLogP1.17
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62157989) is 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1c(N)nc2sccn12.
What is the InChIKey of 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is WFBZABSVDBQODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-15(8-9-4-2-3-6-19-9)21(17,18)11-10(13)14-12-16(11)5-7-20-12/h5,7,9H,2-4,6,8,13H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 330.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62157989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).