4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine

C11H21N3OS — CID 103365604

IUPAC4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC(CC)CC
InChIInChI=1S/C11H21N3OS/c1-4-8(5-2)7-13-11-9(15-6-3)10(12)14-16-11/h8,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyPSTRUPMVANJPOC-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.97
Rot. Bonds7

About 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365604) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103365604
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC(CC)CC
InChIInChI=1S/C11H21N3OS/c1-4-8(5-2)7-13-11-9(15-6-3)10(12)14-16-11/h8,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyPSTRUPMVANJPOC-UHFFFAOYSA-N
XLogP2.97
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-5-N-(2-ethylbutyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine (CID 103365604) is 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCC(CC)CC.
What is the InChIKey of 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PSTRUPMVANJPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-8(5-2)7-13-11-9(15-6-3)10(12)14-16-11/h8,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 243.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).