4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine

C13H13BrN2OS — CID 104658435

IUPAC4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccc(/C=C/c2csc(N)n2)cc1Br
InChIInChI=1S/C13H13BrN2OS/c1-2-17-12-6-4-9(7-11(12)14)3-5-10-8-18-13(15)16-10/h3-8H,2H2,1H3,(H2,15,16)/b5-3+
InChIKeyUSUZADATVUQNQC-HWKANZROSA-N
MW325.23 g/mol
LogP4.06
Rot. Bonds4

About 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 104658435) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID104658435
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccc(/C=C/c2csc(N)n2)cc1Br
InChIInChI=1S/C13H13BrN2OS/c1-2-17-12-6-4-9(7-11(12)14)3-5-10-8-18-13(15)16-10/h3-8H,2H2,1H3,(H2,15,16)/b5-3+
InChIKeyUSUZADATVUQNQC-HWKANZROSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 104658438
4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77039909
4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040042
4-[2-(6-methoxynaphthalen-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040091
4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 77120064
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040002
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482
N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110531470
4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 113438118
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507418

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine (CID 104658435) is 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine is CCOc1ccc(/C=C/c2csc(N)n2)cc1Br.
What is the InChIKey of 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is USUZADATVUQNQC-HWKANZROSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-2-17-12-6-4-9(7-11(12)14)3-5-10-8-18-13(15)16-10/h3-8H,2H2,1H3,(H2,15,16)/b5-3+.
What are the key properties of 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 325.23 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104658435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).