N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide

C8H9F3N4OS — CID 146125731

IUPACN-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H9F3N4OS/c1-12-5(16)4-2-15(3-4)7-13-6(14-17-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)
InChIKeyPEEGUFBKMJRQLC-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.74
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide

N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide (PubChem CID 146125731) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide
PubChem CID146125731
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H9F3N4OS/c1-12-5(16)4-2-15(3-4)7-13-6(14-17-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)
InChIKeyPEEGUFBKMJRQLC-UHFFFAOYSA-N
XLogP0.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304724
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879
N-propyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304882
N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305112
N-tert-butyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305113
N-(2-methylpropyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305114
1-Pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305116
N-propan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 113943990
2,2-Dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 113952886

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide (CID 146125731) is N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide is CNC(=O)C1CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide?
The InChIKey is PEEGUFBKMJRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c1-12-5(16)4-2-15(3-4)7-13-6(14-17-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,16).
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide?
N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide is sourced from PubChem (CID 146125731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).