N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide

C11H18N4O2S2 — CID 43625851

IUPACN-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1cn2c(CNCCNS(C)(=O)=O)c(C)nc2s1
InChIInChI=1S/C11H18N4O2S2/c1-8-7-15-10(9(2)14-11(15)18-8)6-12-4-5-13-19(3,16)17/h7,12-13H,4-6H2,1-3H3
InChIKeyTZEQDXKMFXHORK-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.65
Rot. Bonds6

About N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 43625851) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide
PubChem CID43625851
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC NameN-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1cn2c(CNCCNS(C)(=O)=O)c(C)nc2s1
InChIInChI=1S/C11H18N4O2S2/c1-8-7-15-10(9(2)14-11(15)18-8)6-12-4-5-13-19(3,16)17/h7,12-13H,4-6H2,1-3H3
InChIKeyTZEQDXKMFXHORK-UHFFFAOYSA-N
XLogP0.65
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide (CID 43625851) is N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide is Cc1cn2c(CNCCNS(C)(=O)=O)c(C)nc2s1.
What is the InChIKey of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is TZEQDXKMFXHORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-8-7-15-10(9(2)14-11(15)18-8)6-12-4-5-13-19(3,16)17/h7,12-13H,4-6H2,1-3H3.
What are the key properties of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 302.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43625851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).