4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide

C10H16F3N3O2S2 — CID 83068850

IUPAC4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCNC(C)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2S2/c1-7(14-2)8-6-19-9(15-8)16-20(17,18)5-3-4-10(11,12)13/h6-7,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyNSBRVMUDMNUIJL-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.51
Rot. Bonds7

About 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide

4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide (PubChem CID 83068850) has the molecular formula C10H16F3N3O2S2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide
PubChem CID83068850
Molecular FormulaC10H16F3N3O2S2
Molecular Weight331.39 g/mol
Exact Mass331.06
IUPAC Name4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCNC(C)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2S2/c1-7(14-2)8-6-19-9(15-8)16-20(17,18)5-3-4-10(11,12)13/h6-7,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyNSBRVMUDMNUIJL-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide (CID 83068850) is 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide is CNC(C)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide?
The InChIKey is NSBRVMUDMNUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S2/c1-7(14-2)8-6-19-9(15-8)16-20(17,18)5-3-4-10(11,12)13/h6-7,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide has a molecular weight of 331.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 83068850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).