6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C14H13BrN4O2S — CID 124888876

IUPAC6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1nc2ccc(Br)cn2n1)c1ccsc1
InChIInChI=1S/C14H13BrN4O2S/c1-14(21,9-4-5-22-7-9)8-16-13(20)12-17-11-3-2-10(15)6-19(11)18-12/h2-7,21H,8H2,1H3,(H,16,20)/t14-/m1/s1
InChIKeyTYSAVRWCWFXUBO-CQSZACIVSA-N
MW381.26 g/mol
LogP2.19
Rot. Bonds4

About 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 124888876) has the molecular formula C14H13BrN4O2S and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID124888876
Molecular FormulaC14H13BrN4O2S
Molecular Weight381.26 g/mol
Exact Mass379.99
IUPAC Name6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1nc2ccc(Br)cn2n1)c1ccsc1
InChIInChI=1S/C14H13BrN4O2S/c1-14(21,9-4-5-22-7-9)8-16-13(20)12-17-11-3-2-10(15)6-19(11)18-12/h2-7,21H,8H2,1H3,(H,16,20)/t14-/m1/s1
InChIKeyTYSAVRWCWFXUBO-CQSZACIVSA-N
XLogP2.19
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 124888876) is 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is C[C@@](O)(CNC(=O)c1nc2ccc(Br)cn2n1)c1ccsc1.
What is the InChIKey of 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is TYSAVRWCWFXUBO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13BrN4O2S/c1-14(21,9-4-5-22-7-9)8-16-13(20)12-17-11-3-2-10(15)6-19(11)18-12/h2-7,21H,8H2,1H3,(H,16,20)/t14-/m1/s1.
What are the key properties of 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 124888876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).