6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C9H11F3N4O3S2 — CID 63832888

IUPAC6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H11F3N4O3S2/c10-9(11,12)5-19-3-1-14-21(17,18)7-6(13)15-8-16(7)2-4-20-8/h2,4,14H,1,3,5,13H2
InChIKeyVZXAIZWTTSFBPA-UHFFFAOYSA-N
MW344.34 g/mol
LogP0.84
Rot. Bonds6

About 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63832888) has the molecular formula C9H11F3N4O3S2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63832888
Molecular FormulaC9H11F3N4O3S2
Molecular Weight344.34 g/mol
Exact Mass344.02
IUPAC Name6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H11F3N4O3S2/c10-9(11,12)5-19-3-1-14-21(17,18)7-6(13)15-8-16(7)2-4-20-8/h2,4,14H,1,3,5,13H2
InChIKeyVZXAIZWTTSFBPA-UHFFFAOYSA-N
XLogP0.84
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 61046670
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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63832888) is 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VZXAIZWTTSFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3S2/c10-9(11,12)5-19-3-1-14-21(17,18)7-6(13)15-8-16(7)2-4-20-8/h2,4,14H,1,3,5,13H2.
What are the key properties of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 344.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63832888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).