N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide

C9H14F3N3O2S2 — CID 83058071

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(N)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O2S2/c1-6(13)7-5-18-8(14-7)15-19(16,17)4-2-3-9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyHOHAEMHUUPRBHD-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.25
Rot. Bonds6

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058071) has the molecular formula C9H14F3N3O2S2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058071
Molecular FormulaC9H14F3N3O2S2
Molecular Weight317.36 g/mol
Exact Mass317.05
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(N)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O2S2/c1-6(13)7-5-18-8(14-7)15-19(16,17)4-2-3-9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyHOHAEMHUUPRBHD-UHFFFAOYSA-N
XLogP2.25
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-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 N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83058071) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide is CC(N)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is HOHAEMHUUPRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S2/c1-6(13)7-5-18-8(14-7)15-19(16,17)4-2-3-9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 317.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).