5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine

C14H11BrN2OS — CID 86643276

IUPAC5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESBrc1ccc2nc(COCc3ccccc3)sc2n1
InChIInChI=1S/C14H11BrN2OS/c15-12-7-6-11-14(17-12)19-13(16-11)9-18-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyFRACAFUCNDPEDJ-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.17
Rot. Bonds4

About 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine

5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 86643276) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID86643276
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESBrc1ccc2nc(COCc3ccccc3)sc2n1
InChIInChI=1S/C14H11BrN2OS/c15-12-7-6-11-14(17-12)19-13(16-11)9-18-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyFRACAFUCNDPEDJ-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 66734377
CID 66734377
2-(phenylmethoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
CID 153403227
ethane;phenylmethoxymethylbenzene
CID 90943549
1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 130949962
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 58088073
2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole
CID 175854757
3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole
CID 102492503
4-(phenylmethoxymethyl)-2H-triazole
CID 12990357
6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 70976615
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 86643276) is 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine is Brc1ccc2nc(COCc3ccccc3)sc2n1.
What is the InChIKey of 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FRACAFUCNDPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-12-7-6-11-14(17-12)19-13(16-11)9-18-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 335.23 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 86643276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).