N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide

C17H21FN4O2S — CID 55695456

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)N2CCOC(c3ccc(F)cc3)C2)s1
InChIInChI=1S/C17H21FN4O2S/c1-2-3-4-15-20-21-16(25-15)19-17(23)22-9-10-24-14(11-22)12-5-7-13(18)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,19,21,23)
InChIKeyOVPFTVCJLAJELU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 55695456) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID55695456
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)N2CCOC(c3ccc(F)cc3)C2)s1
InChIInChI=1S/C17H21FN4O2S/c1-2-3-4-15-20-21-16(25-15)19-17(23)22-9-10-24-14(11-22)12-5-7-13(18)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,19,21,23)
InChIKeyOVPFTVCJLAJELU-UHFFFAOYSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide (CID 55695456) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide is CCCCc1nnc(NC(=O)N2CCOC(c3ccc(F)cc3)C2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is OVPFTVCJLAJELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-2-3-4-15-20-21-16(25-15)19-17(23)22-9-10-24-14(11-22)12-5-7-13(18)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,19,21,23).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 55695456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).