N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide

C17H19FN4O2S — CID 71871802

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(Nc1nnc(C2CC2)s1)C(c1ccccc1F)N1CCOCC1
InChIInChI=1S/C17H19FN4O2S/c18-13-4-2-1-3-12(13)14(22-7-9-24-10-8-22)15(23)19-17-21-20-16(25-17)11-5-6-11/h1-4,11,14H,5-10H2,(H,19,21,23)
InChIKeyDBEZABMHFDXOHN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 71871802) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
PubChem CID71871802
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(Nc1nnc(C2CC2)s1)C(c1ccccc1F)N1CCOCC1
InChIInChI=1S/C17H19FN4O2S/c18-13-4-2-1-3-12(13)14(22-7-9-24-10-8-22)15(23)19-17-21-20-16(25-17)11-5-6-11/h1-4,11,14H,5-10H2,(H,19,21,23)
InChIKeyDBEZABMHFDXOHN-UHFFFAOYSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide (CID 71871802) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide is O=C(Nc1nnc(C2CC2)s1)C(c1ccccc1F)N1CCOCC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is DBEZABMHFDXOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-13-4-2-1-3-12(13)14(22-7-9-24-10-8-22)15(23)19-17-21-20-16(25-17)11-5-6-11/h1-4,11,14H,5-10H2,(H,19,21,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 362.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 71871802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).