2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one

C17H21FN4O2S — CID 167826213

IUPAC2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1nnc(-c2cccc(F)c2)s1)C(=O)N1CCOCC1
InChIInChI=1S/C17H21FN4O2S/c1-11(19-12(2)17(23)22-6-8-24-9-7-22)15-20-21-16(25-15)13-4-3-5-14(18)10-13/h3-5,10-12,19H,6-9H2,1-2H3
InChIKeyQDLLNQXAILKCPK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.24
Rot. Bonds5

About 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one

2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 167826213) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID167826213
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1nnc(-c2cccc(F)c2)s1)C(=O)N1CCOCC1
InChIInChI=1S/C17H21FN4O2S/c1-11(19-12(2)17(23)22-6-8-24-9-7-22)15-20-21-16(25-15)13-4-3-5-14(18)10-13/h3-5,10-12,19H,6-9H2,1-2H3
InChIKeyQDLLNQXAILKCPK-UHFFFAOYSA-N
XLogP2.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one (CID 167826213) is 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one is CC(NC(C)c1nnc(-c2cccc(F)c2)s1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is QDLLNQXAILKCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-11(19-12(2)17(23)22-6-8-24-9-7-22)15-20-21-16(25-15)13-4-3-5-14(18)10-13/h3-5,10-12,19H,6-9H2,1-2H3.
What are the key properties of 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 167826213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).