2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C10H6ClN3OS — CID 82357957

IUPAC2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1CSc2nc(-c3cccc(Cl)c3)nn21
InChIInChI=1S/C10H6ClN3OS/c11-7-3-1-2-6(4-7)9-12-10-14(13-9)8(15)5-16-10/h1-4H,5H2
InChIKeyBLLPZJMMFLQUHF-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.34
Rot. Bonds1

About 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 82357957) has the molecular formula C10H6ClN3OS and a molecular weight of 251.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID82357957
Molecular FormulaC10H6ClN3OS
Molecular Weight251.70 g/mol
Exact Mass250.99
IUPAC Name2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1CSc2nc(-c3cccc(Cl)c3)nn21
InChIInChI=1S/C10H6ClN3OS/c11-7-3-1-2-6(4-7)9-12-10-14(13-9)8(15)5-16-10/h1-4H,5H2
InChIKeyBLLPZJMMFLQUHF-UHFFFAOYSA-N
XLogP2.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 4229508
(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 7160480
(5R)-5-(4-fluorophenyl)-2-(3-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 7160452
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
CID 46318469
5-(3-chlorophenyl)-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 83897712
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512
1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
CID 30834345
2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 82481023
(9R)-2-(3-chlorophenyl)-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
CID 126279189
4-(3-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraen-7-one
CID 136859539
2-(3-chlorophenyl)-5-nitropyrimidine
CID 67287515

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 82357957) is 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=C1CSc2nc(-c3cccc(Cl)c3)nn21.
What is the InChIKey of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is BLLPZJMMFLQUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3OS/c11-7-3-1-2-6(4-7)9-12-10-14(13-9)8(15)5-16-10/h1-4H,5H2.
What are the key properties of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 251.70 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 82357957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).