4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine

C14H19N3O2S — CID 84761943

IUPAC4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(CN)cs2)cc1OC
InChIInChI=1S/C14H19N3O2S/c1-18-12-4-3-10(7-13(12)19-2)5-6-16-14-17-11(8-15)9-20-14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyIAJIIGFCXCULKZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.27
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine

4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 84761943) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID84761943
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(CN)cs2)cc1OC
InChIInChI=1S/C14H19N3O2S/c1-18-12-4-3-10(7-13(12)19-2)5-6-16-14-17-11(8-15)9-20-14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyIAJIIGFCXCULKZ-UHFFFAOYSA-N
XLogP2.27
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine 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

N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide
CID 1465598
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328873
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 3946128
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111041298
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 84761943) is 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc(CCNc2nc(CN)cs2)cc1OC.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is IAJIIGFCXCULKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-18-12-4-3-10(7-13(12)19-2)5-6-16-14-17-11(8-15)9-20-14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine?
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 293.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 84761943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).