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

C9H13F3N4OS — CID 107305100

IUPACN,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCCN(CC)C(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-3-16(4-2)6(17)5-13-8-14-7(15-18-8)9(10,11)12/h3-5H2,1-2H3,(H,13,14,15)
InChIKeyVAZNFSBTLLPPNP-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.84
Rot. Bonds5

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

N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 107305100) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID107305100
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCCN(CC)C(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-3-16(4-2)6(17)5-13-8-14-7(15-18-8)9(10,11)12/h3-5H2,1-2H3,(H,13,14,15)
InChIKeyVAZNFSBTLLPPNP-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 107305100) is N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is CCN(CC)C(=O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is VAZNFSBTLLPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-3-16(4-2)6(17)5-13-8-14-7(15-18-8)9(10,11)12/h3-5H2,1-2H3,(H,13,14,15).
What are the key properties of N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 282.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 107305100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).