2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine

C12H23N3O2S — CID 163531872

IUPAC2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine
SMILESCCOCCNc1nc(N(CC)CCOC)cs1
InChIInChI=1S/C12H23N3O2S/c1-4-15(7-9-16-3)11-10-18-12(14-11)13-6-8-17-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyDTRDEQKWJGQREI-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.06
Rot. Bonds10

About 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine

2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine (PubChem CID 163531872) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine
PubChem CID163531872
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine
SMILESCCOCCNc1nc(N(CC)CCOC)cs1
InChIInChI=1S/C12H23N3O2S/c1-4-15(7-9-16-3)11-10-18-12(14-11)13-6-8-17-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyDTRDEQKWJGQREI-UHFFFAOYSA-N
XLogP2.06
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine (CID 163531872) is 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine is CCOCCNc1nc(N(CC)CCOC)cs1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine?
The InChIKey is DTRDEQKWJGQREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-15(7-9-16-3)11-10-18-12(14-11)13-6-8-17-5-2/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine?
2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine has a molecular weight of 273.40 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-4-N-ethyl-4-N-(2-methoxyethyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 163531872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).