4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole

C13H14BrNOS — CID 60773438

IUPAC4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(COc2ccc(Br)cc2)cs1
InChIInChI=1S/C13H14BrNOS/c1-2-3-13-15-11(9-17-13)8-16-12-6-4-10(14)5-7-12/h4-7,9H,2-3,8H2,1H3
InChIKeyHPFIVZIVVDKTPW-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.44
Rot. Bonds5

About 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole

4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole (PubChem CID 60773438) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
PubChem CID60773438
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(COc2ccc(Br)cc2)cs1
InChIInChI=1S/C13H14BrNOS/c1-2-3-13-15-11(9-17-13)8-16-12-6-4-10(14)5-7-12/h4-7,9H,2-3,8H2,1H3
InChIKeyHPFIVZIVVDKTPW-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487377
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 61487429
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
CID 61487425
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 107098522
2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 107671236
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
(1S)-1-[3-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 78933888
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole (CID 60773438) is 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole is CCCc1nc(COc2ccc(Br)cc2)cs1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole?
The InChIKey is HPFIVZIVVDKTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-2-3-13-15-11(9-17-13)8-16-12-6-4-10(14)5-7-12/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole?
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole has a molecular weight of 312.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 60773438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).