5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine

C13H17N3OS — CID 114165618

IUPAC5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCOc1ccccc1CCNc1snc(N)c1C
InChIInChI=1S/C13H17N3OS/c1-9-12(14)16-18-13(9)15-8-7-10-5-3-4-6-11(10)17-2/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyXRZBYVNNWBMUFL-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds5

About 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 114165618) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID114165618
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCOc1ccccc1CCNc1snc(N)c1C
InChIInChI=1S/C13H17N3OS/c1-9-12(14)16-18-13(9)15-8-7-10-5-3-4-6-11(10)17-2/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyXRZBYVNNWBMUFL-UHFFFAOYSA-N
XLogP2.70
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[2-(2-methoxyphenyl)ethyl]-4-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

4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259825
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 114165618) is 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine is COc1ccccc1CCNc1snc(N)c1C.
What is the InChIKey of 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is XRZBYVNNWBMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-12(14)16-18-13(9)15-8-7-10-5-3-4-6-11(10)17-2/h3-6,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 114165618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).