N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide

C19H10F6N4OS — CID 108751894

IUPACN-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2scc(-c3ccccc3)n2n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H10F6N4OS/c20-18(21,22)12-6-11(7-13(8-12)19(23,24)25)15(30)26-16-27-17-29(28-16)14(9-31-17)10-4-2-1-3-5-10/h1-9H,(H,26,28,30)
InChIKeyYECBONCHTBYHBU-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.75
Rot. Bonds3

About N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide

N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 108751894) has the molecular formula C19H10F6N4OS and a molecular weight of 456.37 g/mol. Its IUPAC name is N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID108751894
Molecular FormulaC19H10F6N4OS
Molecular Weight456.37 g/mol
Exact Mass456.05
IUPAC NameN-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2scc(-c3ccccc3)n2n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H10F6N4OS/c20-18(21,22)12-6-11(7-13(8-12)19(23,24)25)15(30)26-16-27-17-29(28-16)14(9-31-17)10-4-2-1-3-5-10/h1-9H,(H,26,28,30)
InChIKeyYECBONCHTBYHBU-UHFFFAOYSA-N
XLogP5.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752211
3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751761
4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751813
methyl 3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]benzoate
CID 108728393
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
3-acetamido-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752032
3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide
CID 108811403
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
CID 108729163
3,4,5-triethoxy-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752208

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (CID 108751894) is N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1nc2scc(-c3ccccc3)n2n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is YECBONCHTBYHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4OS/c20-18(21,22)12-6-11(7-13(8-12)19(23,24)25)15(30)26-16-27-17-29(28-16)14(9-31-17)10-4-2-1-3-5-10/h1-9H,(H,26,28,30).
What are the key properties of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 456.37 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 108751894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).