4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine

C15H21N3O2S — CID 103364258

IUPAC4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
SMILESCCOCc1ccccc1CNc1snc(N)c1OCC
InChIInChI=1S/C15H21N3O2S/c1-3-19-10-12-8-6-5-7-11(12)9-17-15-13(20-4-2)14(16)18-21-15/h5-8,17H,3-4,9-10H2,1-2H3,(H2,16,18)
InChIKeyWKXPIAQCJNYYBO-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.27
Rot. Bonds8

About 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364258) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364258
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
SMILESCCOCc1ccccc1CNc1snc(N)c1OCC
InChIInChI=1S/C15H21N3O2S/c1-3-19-10-12-8-6-5-7-11(12)9-17-15-13(20-4-2)14(16)18-21-15/h5-8,17H,3-4,9-10H2,1-2H3,(H2,16,18)
InChIKeyWKXPIAQCJNYYBO-UHFFFAOYSA-N
XLogP3.27
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine 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

5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359216
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
2-N-[[2-(ethoxymethyl)phenyl]methyl]pyrazine-2,6-diamine
CID 78988831
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915379
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine (CID 103364258) is 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine is CCOCc1ccccc1CNc1snc(N)c1OCC.
What is the InChIKey of 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is WKXPIAQCJNYYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-19-10-12-8-6-5-7-11(12)9-17-15-13(20-4-2)14(16)18-21-15/h5-8,17H,3-4,9-10H2,1-2H3,(H2,16,18).
What are the key properties of 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 307.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).