N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide

C23H14Cl2N4O2S — CID 108742342

IUPACN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide
SMILESO=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H14Cl2N4O2S/c24-15-9-10-19(25)18(12-15)20-13-32-23-27-22(28-29(20)23)26-21(30)14-5-4-8-17(11-14)31-16-6-2-1-3-7-16/h1-13H,(H,26,28,30)
InChIKeyLPMJNKUMXCMSTJ-UHFFFAOYSA-N
MW481.36 g/mol
LogP6.81
Rot. Bonds5

About N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide (PubChem CID 108742342) has the molecular formula C23H14Cl2N4O2S and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide
PubChem CID108742342
Molecular FormulaC23H14Cl2N4O2S
Molecular Weight481.36 g/mol
Exact Mass480.02
IUPAC NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide
SMILESO=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H14Cl2N4O2S/c24-15-9-10-19(25)18(12-15)20-13-32-23-27-22(28-29(20)23)26-21(30)14-5-4-8-17(11-14)31-16-6-2-1-3-7-16/h1-13H,(H,26,28,30)
InChIKeyLPMJNKUMXCMSTJ-UHFFFAOYSA-N
XLogP6.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.36
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
CID 108742357
4-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-nitrobenzamide
CID 108742466
[4-[[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]phenyl] acetate
CID 108728567
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764859
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108764912
2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108742448
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 108742367
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
CID 108728681
methyl 4-[(E)-3-[[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-3-oxoprop-1-enyl]benzoate
CID 108742347
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide?
The IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide (CID 108742342) is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide.
What is the SMILES notation for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide?
The canonical SMILES for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide is O=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide?
The InChIKey is LPMJNKUMXCMSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O2S/c24-15-9-10-19(25)18(12-15)20-13-32-23-27-22(28-29(20)23)26-21(30)14-5-4-8-17(11-14)31-16-6-2-1-3-7-16/h1-13H,(H,26,28,30).
What are the key properties of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide?
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide has a molecular weight of 481.36 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide is sourced from PubChem (CID 108742342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).