[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine

C14H17BrN2O2S — CID 3891143

IUPAC[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOc1cc(Br)c(-c2csc(CN)n2)cc1OCC
InChIInChI=1S/C14H17BrN2O2S/c1-3-18-12-5-9(10(15)6-13(12)19-4-2)11-8-20-14(7-16)17-11/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyPKAXOEUMZYWXOG-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.83
Rot. Bonds6

About [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine

[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 3891143) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID3891143
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOc1cc(Br)c(-c2csc(CN)n2)cc1OCC
InChIInChI=1S/C14H17BrN2O2S/c1-3-18-12-5-9(10(15)6-13(12)19-4-2)11-8-20-14(7-16)17-11/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyPKAXOEUMZYWXOG-UHFFFAOYSA-N
XLogP3.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
1-[4-(4-bromo-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3906583
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 44630590
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5207559

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine (CID 3891143) is [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine is CCOc1cc(Br)c(-c2csc(CN)n2)cc1OCC.
What is the InChIKey of [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is PKAXOEUMZYWXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-3-18-12-5-9(10(15)6-13(12)19-4-2)11-8-20-14(7-16)17-11/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 357.27 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3891143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).