4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole

C14H16BrNO2S — CID 104704731

IUPAC4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(OCc2csc(C(C)C)n2)c(Br)c1
InChIInChI=1S/C14H16BrNO2S/c1-9(2)14-16-10(8-19-14)7-18-13-5-4-11(17-3)6-12(13)15/h4-6,8-9H,7H2,1-3H3
InChIKeyRBKHYFAXADIKIE-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.62
Rot. Bonds5

About 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 104704731) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID104704731
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(OCc2csc(C(C)C)n2)c(Br)c1
InChIInChI=1S/C14H16BrNO2S/c1-9(2)14-16-10(8-19-14)7-18-13-5-4-11(17-3)6-12(13)15/h4-6,8-9H,7H2,1-3H3
InChIKeyRBKHYFAXADIKIE-UHFFFAOYSA-N
XLogP4.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487675
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677
4-[(2-bromo-5-nitrophenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 102975294
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119108501
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
(1R)-1-[5-chloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366748

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole (CID 104704731) is 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole is COc1ccc(OCc2csc(C(C)C)n2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is RBKHYFAXADIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-9(2)14-16-10(8-19-14)7-18-13-5-4-11(17-3)6-12(13)15/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 342.26 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 104704731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).