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

C23H14Cl2N4OS — CID 108764838

IUPACN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H14Cl2N4OS/c24-17-10-11-19(25)18(12-17)20-13-31-23-27-22(28-29(20)23)26-21(30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,26,28,30)
InChIKeyPMLWRPJQKWTWRF-UHFFFAOYSA-N
MW465.37 g/mol
LogP6.68
Rot. Bonds4

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

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide (PubChem CID 108764838) has the molecular formula C23H14Cl2N4OS and a molecular weight of 465.37 g/mol. Its IUPAC name is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
PubChem CID108764838
Molecular FormulaC23H14Cl2N4OS
Molecular Weight465.37 g/mol
Exact Mass464.03
IUPAC NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H14Cl2N4OS/c24-17-10-11-19(25)18(12-17)20-13-31-23-27-22(28-29(20)23)26-21(30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,26,28,30)
InChIKeyPMLWRPJQKWTWRF-UHFFFAOYSA-N
XLogP6.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide
CID 108742342
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
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
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
CID 108742357
2-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108742412
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
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-(2,4-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
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 108742367

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]-4-phenylbenzamide?
The IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide (CID 108764838) is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide is O=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide?
The InChIKey is PMLWRPJQKWTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4OS/c24-17-10-11-19(25)18(12-17)20-13-31-23-27-22(28-29(20)23)26-21(30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/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]-4-phenylbenzamide?
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide has a molecular weight of 465.37 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-phenylbenzamide is sourced from PubChem (CID 108764838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).