N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide

C8H13F2N3O2S2 — CID 64557097

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C8H13F2N3O2S2/c1-3-11-5(2)6-4-16-8(12-6)13-17(14,15)7(9)10/h4-5,7,11H,3H2,1-2H3,(H,12,13)
InChIKeyLVBKRKNFFLSQDZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.78
Rot. Bonds6

About N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide (PubChem CID 64557097) has the molecular formula C8H13F2N3O2S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide
PubChem CID64557097
Molecular FormulaC8H13F2N3O2S2
Molecular Weight285.34 g/mol
Exact Mass285.04
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C8H13F2N3O2S2/c1-3-11-5(2)6-4-16-8(12-6)13-17(14,15)7(9)10/h4-5,7,11H,3H2,1-2H3,(H,12,13)
InChIKeyLVBKRKNFFLSQDZ-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide (CID 64557097) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide is CCNC(C)c1csc(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide?
The InChIKey is LVBKRKNFFLSQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O2S2/c1-3-11-5(2)6-4-16-8(12-6)13-17(14,15)7(9)10/h4-5,7,11H,3H2,1-2H3,(H,12,13).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide has a molecular weight of 285.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 64557097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).