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

C11H20N4OS2 — CID 106327712

IUPAC4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCN1CCSCC1
InChIInChI=1S/C11H20N4OS2/c1-2-16-9-10(12)14-18-11(9)13-3-4-15-5-7-17-8-6-15/h13H,2-8H2,1H3,(H2,12,14)
InChIKeyIAHCXKATHCNUPP-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.58
Rot. Bonds6

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

4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 106327712) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID106327712
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCN1CCSCC1
InChIInChI=1S/C11H20N4OS2/c1-2-16-9-10(12)14-18-11(9)13-3-4-15-5-7-17-8-6-15/h13H,2-8H2,1H3,(H2,12,14)
InChIKeyIAHCXKATHCNUPP-UHFFFAOYSA-N
XLogP1.58
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine (CID 106327712) is 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCCN1CCSCC1.
What is the InChIKey of 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is IAHCXKATHCNUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-2-16-9-10(12)14-18-11(9)13-3-4-15-5-7-17-8-6-15/h13H,2-8H2,1H3,(H2,12,14).
What are the key properties of 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 288.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106327712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).