2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide

C20H20FN3O2S — CID 1444835

IUPAC2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1OCC)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C20H20FN3O2S/c1-3-12-24(19(25)16-10-5-6-11-17(16)26-4-2)20-23-22-18(27-20)14-8-7-9-15(21)13-14/h5-11,13H,3-4,12H2,1-2H3
InChIKeyUUMNQASZQKGHQN-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.80
Rot. Bonds7

About 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide

2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (PubChem CID 1444835) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
PubChem CID1444835
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1OCC)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C20H20FN3O2S/c1-3-12-24(19(25)16-10-5-6-11-17(16)26-4-2)20-23-22-18(27-20)14-8-7-9-15(21)13-14/h5-11,13H,3-4,12H2,1-2H3
InChIKeyUUMNQASZQKGHQN-UHFFFAOYSA-N
XLogP4.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The IUPAC name of 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (CID 1444835) is 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.
What is the SMILES notation for 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The canonical SMILES for 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1OCC)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The InChIKey is UUMNQASZQKGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-3-12-24(19(25)16-10-5-6-11-17(16)26-4-2)20-23-22-18(27-20)14-8-7-9-15(21)13-14/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide has a molecular weight of 385.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is sourced from PubChem (CID 1444835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).