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

C9H13F3N4OS — CID 71356959

IUPAC2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS/c1-3-16(4-2)5-6(17)13-8-15-14-7(18-8)9(10,11)12/h3-5H2,1-2H3,(H,13,15,17)
InChIKeyJXBVDNXPKJVKGI-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.84
Rot. Bonds5

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

2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 71356959) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID71356959
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS/c1-3-16(4-2)5-6(17)13-8-15-14-7(18-8)9(10,11)12/h3-5H2,1-2H3,(H,13,15,17)
InChIKeyJXBVDNXPKJVKGI-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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Related Compounds

Acetamide, 2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 1091545
Acetamide, 2-(dimethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 1091546
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6465732
2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6467563
Acetamide, 2-(diethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 2301583
Acetamide, 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 3076716
Acetamide, 2-(diethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 3076717
Acetamide, 2-(diethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 3076718
Acetamide, 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 3076720
Acetamide, 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 3076721
Acetamide, 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 3076722
Acetamide, 2-(dibutylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 3076723

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 71356959) is 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCN(CC)CC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JXBVDNXPKJVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-3-16(4-2)5-6(17)13-8-15-14-7(18-8)9(10,11)12/h3-5H2,1-2H3,(H,13,15,17).
What are the key properties of 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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 2-(diethylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 71356959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).