N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide

C8H11N3O2S2 — CID 3236842

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C8H11N3O2S2/c1-2-15(12,13)9-5-7-6-11-3-4-14-8(11)10-7/h3-4,6,9H,2,5H2,1H3
InChIKeySLFLLVSYUUFABL-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.84
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide (PubChem CID 3236842) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide
PubChem CID3236842
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C8H11N3O2S2/c1-2-15(12,13)9-5-7-6-11-3-4-14-8(11)10-7/h3-4,6,9H,2,5H2,1H3
InChIKeySLFLLVSYUUFABL-UHFFFAOYSA-N
XLogP0.84
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide (CID 3236842) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide?
The InChIKey is SLFLLVSYUUFABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c1-2-15(12,13)9-5-7-6-11-3-4-14-8(11)10-7/h3-4,6,9H,2,5H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide has a molecular weight of 245.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 3236842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).