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

C7H9N3O2S2 — CID 6620449

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C7H9N3O2S2/c1-14(11,12)8-4-6-5-10-2-3-13-7(10)9-6/h2-3,5,8H,4H2,1H3
InChIKeyQWJSRGAMHRYPQU-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.44
Rot. Bonds3

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide (PubChem CID 6620449) has the molecular formula C7H9N3O2S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide
PubChem CID6620449
Molecular FormulaC7H9N3O2S2
Molecular Weight231.30 g/mol
Exact Mass231.01
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C7H9N3O2S2/c1-14(11,12)8-4-6-5-10-2-3-13-7(10)9-6/h2-3,5,8H,4H2,1H3
InChIKeyQWJSRGAMHRYPQU-UHFFFAOYSA-N
XLogP0.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.44
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)methanesulfonamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide (CID 6620449) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide?
The InChIKey is QWJSRGAMHRYPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S2/c1-14(11,12)8-4-6-5-10-2-3-13-7(10)9-6/h2-3,5,8H,4H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanesulfonamide has a molecular weight of 231.30 g/mol, XLogP of 0.44, 3 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)methanesulfonamide is sourced from PubChem (CID 6620449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).