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

C11H13N5O2S3 — CID 63244794

IUPAC6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCc1nccs1
InChIInChI=1S/C11H13N5O2S3/c1-12-9-10(16-5-7-20-11(16)15-9)21(17,18)14-3-2-8-13-4-6-19-8/h4-7,12,14H,2-3H2,1H3
InChIKeyLOFGJHYERPYIJA-UHFFFAOYSA-N
MW343.46 g/mol
LogP1.41
Rot. Bonds6

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

6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63244794) has the molecular formula C11H13N5O2S3 and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63244794
Molecular FormulaC11H13N5O2S3
Molecular Weight343.46 g/mol
Exact Mass343.02
IUPAC Name6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCc1nccs1
InChIInChI=1S/C11H13N5O2S3/c1-12-9-10(16-5-7-20-11(16)15-9)21(17,18)14-3-2-8-13-4-6-19-8/h4-7,12,14H,2-3H2,1H3
InChIKeyLOFGJHYERPYIJA-UHFFFAOYSA-N
XLogP1.41
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]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-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63244794) is 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCCc1nccs1.
What is the InChIKey of 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is LOFGJHYERPYIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S3/c1-12-9-10(16-5-7-20-11(16)15-9)21(17,18)14-3-2-8-13-4-6-19-8/h4-7,12,14H,2-3H2,1H3.
What are the key properties of 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 343.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63244794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).