2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone

C15H14ClN5O2S — CID 50850478

IUPAC2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc(-c2nn3cnnc3s2)cc1Cl)N1CCOCC1
InChIInChI=1S/C15H14ClN5O2S/c16-12-7-11(14-19-21-9-17-18-15(21)24-14)2-1-10(12)8-13(22)20-3-5-23-6-4-20/h1-2,7,9H,3-6,8H2
InChIKeyOUSRCTCCWUHPNK-UHFFFAOYSA-N
MW363.83 g/mol
LogP1.91
Rot. Bonds3

About 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone

2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone (PubChem CID 50850478) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone
PubChem CID50850478
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc(-c2nn3cnnc3s2)cc1Cl)N1CCOCC1
InChIInChI=1S/C15H14ClN5O2S/c16-12-7-11(14-19-21-9-17-18-15(21)24-14)2-1-10(12)8-13(22)20-3-5-23-6-4-20/h1-2,7,9H,3-6,8H2
InChIKeyOUSRCTCCWUHPNK-UHFFFAOYSA-N
XLogP1.91
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone
CID 50850496
2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-N,N-dimethylacetamide
CID 50850480
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone
CID 50896194
5-(3-chloro-4-methylphenyl)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]furan-2-carboxamide
CID 50811081
2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-1-morpholin-4-ylethanone
CID 58243210
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 12559825
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone (CID 50850478) is 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone is O=C(Cc1ccc(-c2nn3cnnc3s2)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone?
The InChIKey is OUSRCTCCWUHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c16-12-7-11(14-19-21-9-17-18-15(21)24-14)2-1-10(12)8-13(22)20-3-5-23-6-4-20/h1-2,7,9H,3-6,8H2.
What are the key properties of 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone?
2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone has a molecular weight of 363.83 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 50850478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).