N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide

C8H13F3N4O2S2 — CID 107304962

IUPACN-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(C(F)(F)F)ns1)NS(C)(=O)=O
InChIInChI=1S/C8H13F3N4O2S2/c1-7(2,15-19(3,16)17)4-12-6-13-5(14-18-6)8(9,10)11/h15H,4H2,1-3H3,(H,12,13,14)
InChIKeyKBFBVEHTLJITFB-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.30
Rot. Bonds5

About N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide (PubChem CID 107304962) has the molecular formula C8H13F3N4O2S2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide
PubChem CID107304962
Molecular FormulaC8H13F3N4O2S2
Molecular Weight318.35 g/mol
Exact Mass318.04
IUPAC NameN-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(C(F)(F)F)ns1)NS(C)(=O)=O
InChIInChI=1S/C8H13F3N4O2S2/c1-7(2,15-19(3,16)17)4-12-6-13-5(14-18-6)8(9,10)11/h15H,4H2,1-3H3,(H,12,13,14)
InChIKeyKBFBVEHTLJITFB-UHFFFAOYSA-N
XLogP1.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106337790
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106338946
N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107304781
2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107304789
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107304867
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1-sulfonamide
CID 107304881
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305041
1-N,1-N-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107305081
2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107305328
2-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107305455
2-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305458
2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107306255

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide (CID 107304962) is N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide is CC(C)(CNc1nc(C(F)(F)F)ns1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide?
The InChIKey is KBFBVEHTLJITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S2/c1-7(2,15-19(3,16)17)4-12-6-13-5(14-18-6)8(9,10)11/h15H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 107304962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).