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

C8H11F3N4OS — CID 107304752

IUPACN,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCN(C)C(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H11F3N4OS/c1-15(2)5(16)3-4-12-7-13-6(14-17-7)8(9,10)11/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyFMWPFDSBFOGVFC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.45
Rot. Bonds4

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

N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107304752) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107304752
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC NameN,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCN(C)C(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H11F3N4OS/c1-15(2)5(16)3-4-12-7-13-6(14-17-7)8(9,10)11/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyFMWPFDSBFOGVFC-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 105966899
3-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 106097298
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304582
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304704
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304724
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107304739
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-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304825

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107304752) is N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CN(C)C(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is FMWPFDSBFOGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-15(2)5(16)3-4-12-7-13-6(14-17-7)8(9,10)11/h3-4H2,1-2H3,(H,12,13,14).
What are the key properties of N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 268.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107304752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).