5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide

C19H13BrClFN4OS — CID 44976706

IUPAC5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H13BrClFN4OS/c20-11-5-6-15(21)14(9-11)18(27)23-8-7-12-10-28-19-24-17(25-26(12)19)13-3-1-2-4-16(13)22/h1-6,9-10H,7-8H2,(H,23,27)
InChIKeyPBVQFCYGBWRNLN-UHFFFAOYSA-N
MW479.76 g/mol
LogP4.99
Rot. Bonds5

About 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide

5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (PubChem CID 44976706) has the molecular formula C19H13BrClFN4OS and a molecular weight of 479.76 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
PubChem CID44976706
Molecular FormulaC19H13BrClFN4OS
Molecular Weight479.76 g/mol
Exact Mass477.97
IUPAC Name5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H13BrClFN4OS/c20-11-5-6-15(21)14(9-11)18(27)23-8-7-12-10-28-19-24-17(25-26(12)19)13-3-1-2-4-16(13)22/h1-6,9-10H,7-8H2,(H,23,27)
InChIKeyPBVQFCYGBWRNLN-UHFFFAOYSA-N
XLogP4.99
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.76
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (CID 44976706) is 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The InChIKey is PBVQFCYGBWRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClFN4OS/c20-11-5-6-15(21)14(9-11)18(27)23-8-7-12-10-28-19-24-17(25-26(12)19)13-3-1-2-4-16(13)22/h1-6,9-10H,7-8H2,(H,23,27).
What are the key properties of 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide has a molecular weight of 479.76 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is sourced from PubChem (CID 44976706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).