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

C16H10F3N3O2S — CID 1186273

IUPAC2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)14-21-22-15(25-14)20-13(23)11-8-4-5-9-12(11)24-10-6-2-1-3-7-10/h1-9H,(H,20,22,23)
InChIKeyYNDVVQWKUAPBKF-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.60
Rot. Bonds4

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

2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1186273) has the molecular formula C16H10F3N3O2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1186273
Molecular FormulaC16H10F3N3O2S
Molecular Weight365.34 g/mol
Exact Mass365.04
IUPAC Name2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)14-21-22-15(25-14)20-13(23)11-8-4-5-9-12(11)24-10-6-2-1-3-7-10/h1-9H,(H,20,22,23)
InChIKeyYNDVVQWKUAPBKF-UHFFFAOYSA-N
XLogP4.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1186273) is 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is YNDVVQWKUAPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2S/c17-16(18,19)14-21-22-15(25-14)20-13(23)11-8-4-5-9-12(11)24-10-6-2-1-3-7-10/h1-9H,(H,20,22,23).
What are the key properties of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 365.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1186273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).