N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide

C19H18FN5O3S — CID 155343151

IUPACN-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nnc(OCc2ccc(F)cc2)s1)c1cccnc1N1CCOCC1
InChIInChI=1S/C19H18FN5O3S/c20-14-5-3-13(4-6-14)12-28-19-24-23-18(29-19)22-17(26)15-2-1-7-21-16(15)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,22,23,26)
InChIKeyCIPDIHGMZQFWAE-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.74
Rot. Bonds6

About N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 155343151) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID155343151
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC NameN-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nnc(OCc2ccc(F)cc2)s1)c1cccnc1N1CCOCC1
InChIInChI=1S/C19H18FN5O3S/c20-14-5-3-13(4-6-14)12-28-19-24-23-18(29-19)22-17(26)15-2-1-7-21-16(15)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,22,23,26)
InChIKeyCIPDIHGMZQFWAE-UHFFFAOYSA-N
XLogP2.74
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 155343151) is N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1nnc(OCc2ccc(F)cc2)s1)c1cccnc1N1CCOCC1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CIPDIHGMZQFWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c20-14-5-3-13(4-6-14)12-28-19-24-23-18(29-19)22-17(26)15-2-1-7-21-16(15)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,22,23,26).
What are the key properties of N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 155343151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).