[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone

C14H12ClN5O2S — CID 50896194

IUPAC[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nnc2sc(-c3cccc(Cl)c3)nn12)N1CCOCC1
InChIInChI=1S/C14H12ClN5O2S/c15-10-3-1-2-9(8-10)12-18-20-11(16-17-14(20)23-12)13(21)19-4-6-22-7-5-19/h1-3,8H,4-7H2
InChIKeyABLCZTQJFJFSIG-UHFFFAOYSA-N
MW349.80 g/mol
LogP1.98
Rot. Bonds2

About [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone

[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 50896194) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone
PubChem CID50896194
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC Name[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nnc2sc(-c3cccc(Cl)c3)nn12)N1CCOCC1
InChIInChI=1S/C14H12ClN5O2S/c15-10-3-1-2-9(8-10)12-18-20-11(16-17-14(20)23-12)13(21)19-4-6-22-7-5-19/h1-3,8H,4-7H2
InChIKeyABLCZTQJFJFSIG-UHFFFAOYSA-N
XLogP1.98
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-piperidin-1-ylmethanone
CID 50895939
propan-2-yl 6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxylate
CID 50896059
[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 50895919
3-(3-chlorophenyl)-6-[4-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11577531
3-(3-chlorophenyl)-6-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840504
[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 50896191
[8-(3-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-morpholin-4-ylmethanone
CID 43840841
6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
CID 50896027
6-(3-chlorophenyl)-3-(ethylsulfanylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135638108
6-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4891332
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
[4-amino-6-(3-chlorophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69192466

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone (CID 50896194) is [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone is O=C(c1nnc2sc(-c3cccc(Cl)c3)nn12)N1CCOCC1.
What is the InChIKey of [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ABLCZTQJFJFSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c15-10-3-1-2-9(8-10)12-18-20-11(16-17-14(20)23-12)13(21)19-4-6-22-7-5-19/h1-3,8H,4-7H2.
What are the key properties of [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone?
[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 349.80 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50896194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).