1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide

C7H11F2N3O2S2 — CID 64556293

IUPAC1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCNC(C)c1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C7H11F2N3O2S2/c1-4(10-2)5-3-15-7(11-5)12-16(13,14)6(8)9/h3-4,6,10H,1-2H3,(H,11,12)
InChIKeyXFJYIOUZAASZPX-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.39
Rot. Bonds5

About 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide

1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 64556293) has the molecular formula C7H11F2N3O2S2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID64556293
Molecular FormulaC7H11F2N3O2S2
Molecular Weight271.31 g/mol
Exact Mass271.03
IUPAC Name1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCNC(C)c1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C7H11F2N3O2S2/c1-4(10-2)5-3-15-7(11-5)12-16(13,14)6(8)9/h3-4,6,10H,1-2H3,(H,11,12)
InChIKeyXFJYIOUZAASZPX-UHFFFAOYSA-N
XLogP1.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 64556293) is 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide is CNC(C)c1csc(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is XFJYIOUZAASZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2S2/c1-4(10-2)5-3-15-7(11-5)12-16(13,14)6(8)9/h3-4,6,10H,1-2H3,(H,11,12).
What are the key properties of 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 271.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 64556293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).