N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide

C9H13N3O2S2 — CID 3243110

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn2c(C)csc2n1
InChIInChI=1S/C9H13N3O2S2/c1-3-16(13,14)10-4-8-5-12-7(2)6-15-9(12)11-8/h5-6,10H,3-4H2,1-2H3
InChIKeyLLPDYPIAJRAGKH-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.14
Rot. Bonds4

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide (PubChem CID 3243110) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide
PubChem CID3243110
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn2c(C)csc2n1
InChIInChI=1S/C9H13N3O2S2/c1-3-16(13,14)10-4-8-5-12-7(2)6-15-9(12)11-8/h5-6,10H,3-4H2,1-2H3
InChIKeyLLPDYPIAJRAGKH-UHFFFAOYSA-N
XLogP1.14
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide (CID 3243110) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cn2c(C)csc2n1.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide?
The InChIKey is LLPDYPIAJRAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-3-16(13,14)10-4-8-5-12-7(2)6-15-9(12)11-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide has a molecular weight of 259.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 3243110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).