2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C17H14BrN5O2S — CID 11575624

IUPAC2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NN1C(=O)CSC1c1ccccc1Br
InChIInChI=1S/C17H14BrN5O2S/c18-12-6-2-1-5-11(12)17-23(16(25)10-26-17)20-15(24)9-22-14-8-4-3-7-13(14)19-21-22/h1-8,17H,9-10H2,(H,20,24)
InChIKeyPYBAIWSKIMNPDK-UHFFFAOYSA-N
MW432.30 g/mol
LogP2.50
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 11575624) has the molecular formula C17H14BrN5O2S and a molecular weight of 432.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID11575624
Molecular FormulaC17H14BrN5O2S
Molecular Weight432.30 g/mol
Exact Mass431.01
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NN1C(=O)CSC1c1ccccc1Br
InChIInChI=1S/C17H14BrN5O2S/c18-12-6-2-1-5-11(12)17-23(16(25)10-26-17)20-15(24)9-22-14-8-4-3-7-13(14)19-21-22/h1-8,17H,9-10H2,(H,20,24)
InChIKeyPYBAIWSKIMNPDK-UHFFFAOYSA-N
XLogP2.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 8025550
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CID 10408721
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CID 23711121
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 11575624) is 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(Cn1nnc2ccccc21)NN1C(=O)CSC1c1ccccc1Br.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is PYBAIWSKIMNPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2S/c18-12-6-2-1-5-11(12)17-23(16(25)10-26-17)20-15(24)9-22-14-8-4-3-7-13(14)19-21-22/h1-8,17H,9-10H2,(H,20,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 432.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 11575624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).