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

C9H13BrN4O2S — CID 115898996

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1nnc(Br)s1)C(=O)N1CCOCC1
InChIInChI=1S/C9H13BrN4O2S/c1-6(11-9-13-12-8(10)17-9)7(15)14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,11,13)
InChIKeyLZSUKYCULBRUPD-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.96
Rot. Bonds3

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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115898996) has the molecular formula C9H13BrN4O2S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID115898996
Molecular FormulaC9H13BrN4O2S
Molecular Weight321.20 g/mol
Exact Mass319.99
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1nnc(Br)s1)C(=O)N1CCOCC1
InChIInChI=1S/C9H13BrN4O2S/c1-6(11-9-13-12-8(10)17-9)7(15)14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,11,13)
InChIKeyLZSUKYCULBRUPD-UHFFFAOYSA-N
XLogP0.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113350190
(2R)-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97250136
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
CID 114386240
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112749321
2-(4,5-dihydro-1H-imidazol-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114400401
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 102837335
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 97230401

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 115898996) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one is CC(Nc1nnc(Br)s1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LZSUKYCULBRUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2S/c1-6(11-9-13-12-8(10)17-9)7(15)14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,11,13).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 321.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115898996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).