3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide

C9H15F3N4O2S2 — CID 103364947

IUPAC3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCCC(F)(F)F
InChIInChI=1S/C9H15F3N4O2S2/c1-16(2)20(17,18)6-7(13)15-19-8(6)14-5-3-4-9(10,11)12/h14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyFMRGEWSYGSMXSC-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103364947) has the molecular formula C9H15F3N4O2S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103364947
Molecular FormulaC9H15F3N4O2S2
Molecular Weight332.37 g/mol
Exact Mass332.06
IUPAC Name3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCCC(F)(F)F
InChIInChI=1S/C9H15F3N4O2S2/c1-16(2)20(17,18)6-7(13)15-19-8(6)14-5-3-4-9(10,11)12/h14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyFMRGEWSYGSMXSC-UHFFFAOYSA-N
XLogP1.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.73
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 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide (CID 103364947) is 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCCCC(F)(F)F.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is FMRGEWSYGSMXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S2/c1-16(2)20(17,18)6-7(13)15-19-8(6)14-5-3-4-9(10,11)12/h14H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103364947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).