2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole

C13H15BrN2OS — CID 103816184

IUPAC2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1csc(COc2ccc(Br)nc2)n1
InChIInChI=1S/C13H15BrN2OS/c1-13(2,3)10-8-18-12(16-10)7-17-9-4-5-11(14)15-6-9/h4-6,8H,7H2,1-3H3
InChIKeyPVWVDOQQGUUMBI-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.18
Rot. Bonds3

About 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole

2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole (PubChem CID 103816184) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
PubChem CID103816184
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1csc(COc2ccc(Br)nc2)n1
InChIInChI=1S/C13H15BrN2OS/c1-13(2,3)10-8-18-12(16-10)7-17-9-4-5-11(14)15-6-9/h4-6,8H,7H2,1-3H3
InChIKeyPVWVDOQQGUUMBI-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.18
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

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460
2-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-tert-butyl-1,3-thiazole
CID 107699041
4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
2-[(4-bromophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187087
methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate
CID 19611405
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
CID 115956396
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 166088216

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole (CID 103816184) is 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole is CC(C)(C)c1csc(COc2ccc(Br)nc2)n1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole?
The InChIKey is PVWVDOQQGUUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-13(2,3)10-8-18-12(16-10)7-17-9-4-5-11(14)15-6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole?
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole has a molecular weight of 327.25 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole is sourced from PubChem (CID 103816184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).