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

C7H11F3N4O2S2 — CID 107385501

IUPACN-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4O2S2/c1-18(15,16)12-4-2-3-11-6-13-5(14-17-6)7(8,9)10/h12H,2-4H2,1H3,(H,11,13,14)
InChIKeyVWQHSHZFVCKAGL-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.91
Rot. Bonds6

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

N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide (PubChem CID 107385501) has the molecular formula C7H11F3N4O2S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
PubChem CID107385501
Molecular FormulaC7H11F3N4O2S2
Molecular Weight304.32 g/mol
Exact Mass304.03
IUPAC NameN-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4O2S2/c1-18(15,16)12-4-2-3-11-6-13-5(14-17-6)7(8,9)10/h12H,2-4H2,1H3,(H,11,13,14)
InChIKeyVWQHSHZFVCKAGL-UHFFFAOYSA-N
XLogP0.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
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'-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304454
3-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304523
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304577
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,4-diamine
CID 107304578
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304582
N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304639
N-butyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304663
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide (CID 107385501) is N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
The InChIKey is VWQHSHZFVCKAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S2/c1-18(15,16)12-4-2-3-11-6-13-5(14-17-6)7(8,9)10/h12H,2-4H2,1H3,(H,11,13,14).
What are the key properties of N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide has a molecular weight of 304.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 107385501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).