1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine

C15H19BrN2OS — CID 63050480

IUPAC1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ncsc1CCOc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C15H19BrN2OS/c1-10(17)7-12-3-4-14(13(16)8-12)19-6-5-15-11(2)18-9-20-15/h3-4,8-10H,5-7,17H2,1-2H3
InChIKeyCGKQCRJJGRSTFQ-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.73
Rot. Bonds6

About 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine

1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 63050480) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
PubChem CID63050480
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ncsc1CCOc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C15H19BrN2OS/c1-10(17)7-12-3-4-14(13(16)8-12)19-6-5-15-11(2)18-9-20-15/h3-4,8-10H,5-7,17H2,1-2H3
InChIKeyCGKQCRJJGRSTFQ-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanol
CID 113223111
6-[4-(2-aminopropyl)-2-bromophenoxy]-2,2-dimethylhexanenitrile
CID 106713619
1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 106868969

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine (CID 63050480) is 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine is Cc1ncsc1CCOc1ccc(CC(C)N)cc1Br.
What is the InChIKey of 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is CGKQCRJJGRSTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-10(17)7-12-3-4-14(13(16)8-12)19-6-5-15-11(2)18-9-20-15/h3-4,8-10H,5-7,17H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 355.30 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 63050480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).