5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine

C12H12BrFN2OS — CID 79774025

IUPAC5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccc(Br)cc2F)s1
InChIInChI=1S/C12H12BrFN2OS/c1-2-15-12-16-6-9(18-12)7-17-11-4-3-8(13)5-10(11)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyFCQHQKHHAQNTBT-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.06
Rot. Bonds5

About 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine

5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79774025) has the molecular formula C12H12BrFN2OS and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79774025
Molecular FormulaC12H12BrFN2OS
Molecular Weight331.21 g/mol
Exact Mass329.98
IUPAC Name5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccc(Br)cc2F)s1
InChIInChI=1S/C12H12BrFN2OS/c1-2-15-12-16-6-9(18-12)7-17-11-4-3-8(13)5-10(11)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyFCQHQKHHAQNTBT-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
CID 107668134
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 107660672
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774389
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
CID 63485322
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine (CID 79774025) is 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(COc2ccc(Br)cc2F)s1.
What is the InChIKey of 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is FCQHQKHHAQNTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2OS/c1-2-15-12-16-6-9(18-12)7-17-11-4-3-8(13)5-10(11)14/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 331.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).