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

C11H18F3N3O2S2 — CID 83047641

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O2S2/c1-3-15-8(2)9-7-20-10(16-9)17-21(18,19)6-4-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyAJTCNPXUSUWGMF-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.90
Rot. Bonds8

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

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83047641) has the molecular formula C11H18F3N3O2S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83047641
Molecular FormulaC11H18F3N3O2S2
Molecular Weight345.41 g/mol
Exact Mass345.08
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O2S2/c1-3-15-8(2)9-7-20-10(16-9)17-21(18,19)6-4-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyAJTCNPXUSUWGMF-UHFFFAOYSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.90
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]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83047641) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide is CCNC(C)c1csc(NS(=O)(=O)CCCC(F)(F)F)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is AJTCNPXUSUWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S2/c1-3-15-8(2)9-7-20-10(16-9)17-21(18,19)6-4-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 345.41 g/mol, XLogP of 2.90, 8 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]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83047641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).