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

C9H17N3O3S — CID 103379304

IUPAC4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESCOCCOCCNc1snc(N)c1OC
InChIInChI=1S/C9H17N3O3S/c1-13-5-6-15-4-3-11-9-7(14-2)8(10)12-16-9/h11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyANIYWURDBCTXPF-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.81
Rot. Bonds8

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

4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103379304) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103379304
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESCOCCOCCNc1snc(N)c1OC
InChIInChI=1S/C9H17N3O3S/c1-13-5-6-15-4-3-11-9-7(14-2)8(10)12-16-9/h11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyANIYWURDBCTXPF-UHFFFAOYSA-N
XLogP0.81
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363859
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine (CID 103379304) is 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine is COCCOCCNc1snc(N)c1OC.
What is the InChIKey of 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is ANIYWURDBCTXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-13-5-6-15-4-3-11-9-7(14-2)8(10)12-16-9/h11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 247.32 g/mol, XLogP of 0.81, 8 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-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103379304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).