4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine

C9H12N4OS2 — CID 103380162

IUPAC4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCCc1nccs1
InChIInChI=1S/C9H12N4OS2/c1-14-7-8(10)13-16-9(7)12-3-2-6-11-4-5-15-6/h4-5,12H,2-3H2,1H3,(H2,10,13)
InChIKeyHYQMNWFOEZNKNQ-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.85
Rot. Bonds5

About 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine

4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103380162) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103380162
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCCc1nccs1
InChIInChI=1S/C9H12N4OS2/c1-14-7-8(10)13-16-9(7)12-3-2-6-11-4-5-15-6/h4-5,12H,2-3H2,1H3,(H2,10,13)
InChIKeyHYQMNWFOEZNKNQ-UHFFFAOYSA-N
XLogP1.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-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-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380154
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
4,5-dimethoxy-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 83001770
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103383188
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378499
methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571434

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103380162) is 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCCc1nccs1.
What is the InChIKey of 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is HYQMNWFOEZNKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-14-7-8(10)13-16-9(7)12-3-2-6-11-4-5-15-6/h4-5,12H,2-3H2,1H3,(H2,10,13).
What are the key properties of 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 256.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).