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

C14H12F3N3O2S — CID 4858653

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)9-2-1-3-10(6-9)22-7-11(21)18-13-20-19-12(23-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,20,21)
InChIKeyPJEIYKMXBIKLGR-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.45
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 4858653) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID4858653
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)9-2-1-3-10(6-9)22-7-11(21)18-13-20-19-12(23-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,20,21)
InChIKeyPJEIYKMXBIKLGR-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 4858653) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is PJEIYKMXBIKLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)9-2-1-3-10(6-9)22-7-11(21)18-13-20-19-12(23-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,20,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 343.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 4858653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).