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

C16H22F3N3O2S — CID 54085856

IUPACN-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide
SMILESCC1CC(C)(C)C=C1N(C(=O)COc1nnc(C(F)(F)F)s1)C(C)C
InChIInChI=1S/C16H22F3N3O2S/c1-9(2)22(11-7-15(4,5)6-10(11)3)12(23)8-24-14-21-20-13(25-14)16(17,18)19/h7,9-10H,6,8H2,1-5H3
InChIKeyMQKAWIPPUSZPRE-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.12
Rot. Bonds5

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

N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide (PubChem CID 54085856) has the molecular formula C16H22F3N3O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide
PubChem CID54085856
Molecular FormulaC16H22F3N3O2S
Molecular Weight377.43 g/mol
Exact Mass377.14
IUPAC NameN-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide
SMILESCC1CC(C)(C)C=C1N(C(=O)COc1nnc(C(F)(F)F)s1)C(C)C
InChIInChI=1S/C16H22F3N3O2S/c1-9(2)22(11-7-15(4,5)6-10(11)3)12(23)8-24-14-21-20-13(25-14)16(17,18)19/h7,9-10H,6,8H2,1-5H3
InChIKeyMQKAWIPPUSZPRE-UHFFFAOYSA-N
XLogP4.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide (CID 54085856) is N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide is CC1CC(C)(C)C=C1N(C(=O)COc1nnc(C(F)(F)F)s1)C(C)C.
What is the InChIKey of N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is MQKAWIPPUSZPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2S/c1-9(2)22(11-7-15(4,5)6-10(11)3)12(23)8-24-14-21-20-13(25-14)16(17,18)19/h7,9-10H,6,8H2,1-5H3.
What are the key properties of N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 54085856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).