N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide

C16H20F3N3O2S — CID 11463001

IUPACN-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCCN(C(=O)COc1nnc(C(F)(F)F)s1)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C16H20F3N3O2S/c1-5-22(11-6-10(2)7-15(3,4)8-11)12(23)9-24-14-21-20-13(25-14)16(17,18)19/h6,8H,5,7,9H2,1-4H3
InChIKeyMBYGSGYAVJJDFI-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.04
Rot. Bonds5

About N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide

N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 11463001) has the molecular formula C16H20F3N3O2S and a molecular weight of 375.42 g/mol. Its IUPAC name is N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
PubChem CID11463001
Molecular FormulaC16H20F3N3O2S
Molecular Weight375.42 g/mol
Exact Mass375.12
IUPAC NameN-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCCN(C(=O)COc1nnc(C(F)(F)F)s1)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C16H20F3N3O2S/c1-5-22(11-6-10(2)7-15(3,4)8-11)12(23)9-24-14-21-20-13(25-14)16(17,18)19/h6,8H,5,7,9H2,1-4H3
InChIKeyMBYGSGYAVJJDFI-UHFFFAOYSA-N
XLogP4.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide (CID 11463001) is N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide is CCN(C(=O)COc1nnc(C(F)(F)F)s1)C1=CC(C)(C)CC(C)=C1.
What is the InChIKey of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is MBYGSGYAVJJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2S/c1-5-22(11-6-10(2)7-15(3,4)8-11)12(23)9-24-14-21-20-13(25-14)16(17,18)19/h6,8H,5,7,9H2,1-4H3.
What are the key properties of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 375.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 11463001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).