2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide

C10H15F3N4O2S2 — CID 71971638

IUPAC2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C10H15F3N4O2S2/c11-10(12,13)6-17-2-1-7(5-17)3-15-9-16-4-8(20-9)21(14,18)19/h4,7H,1-3,5-6H2,(H,15,16)(H2,14,18,19)
InChIKeyZLJXFZVQEHDPFA-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.09
Rot. Bonds5

About 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide

2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 71971638) has the molecular formula C10H15F3N4O2S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID71971638
Molecular FormulaC10H15F3N4O2S2
Molecular Weight344.38 g/mol
Exact Mass344.06
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C10H15F3N4O2S2/c11-10(12,13)6-17-2-1-7(5-17)3-15-9-16-4-8(20-9)21(14,18)19/h4,7H,1-3,5-6H2,(H,15,16)(H2,14,18,19)
InChIKeyZLJXFZVQEHDPFA-UHFFFAOYSA-N
XLogP1.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 53568641
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide
CID 61045719
2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282
2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288283
2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide
CID 97597960
2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide
CID 97597962
2-(2,2-Difluoroethylamino)-1,3-thiazole-5-sulfonamide
CID 130687209
2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 132380316
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
CID 133486781
2-(3,3-Difluoropyrrolidin-1-yl)-5-methylsulfonyl-1,3-thiazole
CID 145597636
2-((Cyclobutylmethyl)amino)thiazole-5-sulfonamide
CID 51106894
N-[5-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 100763257

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide (CID 71971638) is 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC2CCN(CC(F)(F)F)C2)s1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZLJXFZVQEHDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S2/c11-10(12,13)6-17-2-1-7(5-17)3-15-9-16-4-8(20-9)21(14,18)19/h4,7H,1-3,5-6H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide?
2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 344.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 71971638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).