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

C12H22N4OS — CID 103359375

IUPAC4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC1CCCN(CC)C1
InChIInChI=1S/C12H22N4OS/c1-3-16-7-5-6-9(8-16)14-12-10(17-4-2)11(13)15-18-12/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyHDWJUAKJVAAYDF-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.02
Rot. Bonds5

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

4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359375) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359375
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC1CCCN(CC)C1
InChIInChI=1S/C12H22N4OS/c1-3-16-7-5-6-9(8-16)14-12-10(17-4-2)11(13)15-18-12/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyHDWJUAKJVAAYDF-UHFFFAOYSA-N
XLogP2.02
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (CID 103359375) is 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NC1CCCN(CC)C1.
What is the InChIKey of 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is HDWJUAKJVAAYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-3-16-7-5-6-9(8-16)14-12-10(17-4-2)11(13)15-18-12/h9,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 270.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).