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

C9H15F2N3O2S2 — CID 64556700

IUPAC1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCCCNC(C)c1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C9H15F2N3O2S2/c1-3-4-12-6(2)7-5-17-9(13-7)14-18(15,16)8(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyBHZVTTAKMXXTBA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds7

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

1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 64556700) has the molecular formula C9H15F2N3O2S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID64556700
Molecular FormulaC9H15F2N3O2S2
Molecular Weight299.37 g/mol
Exact Mass299.06
IUPAC Name1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCCCNC(C)c1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C9H15F2N3O2S2/c1-3-4-12-6(2)7-5-17-9(13-7)14-18(15,16)8(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyBHZVTTAKMXXTBA-UHFFFAOYSA-N
XLogP2.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.17
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-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 64556700) is 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide is CCCNC(C)c1csc(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is BHZVTTAKMXXTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O2S2/c1-3-4-12-6(2)7-5-17-9(13-7)14-18(15,16)8(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
1,1-difluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 299.37 g/mol, XLogP of 2.17, 7 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-(propylamino)ethyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 64556700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).