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

C13H24N4OS — CID 103360114

IUPAC4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCCN1CCC(Nc2snc(N)c2OCC)CC1
InChIInChI=1S/C13H24N4OS/c1-3-7-17-8-5-10(6-9-17)15-13-11(18-4-2)12(14)16-19-13/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyNPGLERLSNMQGQT-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.41
Rot. Bonds6

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

4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103360114) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103360114
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCCN1CCC(Nc2snc(N)c2OCC)CC1
InChIInChI=1S/C13H24N4OS/c1-3-7-17-8-5-10(6-9-17)15-13-11(18-4-2)12(14)16-19-13/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyNPGLERLSNMQGQT-UHFFFAOYSA-N
XLogP2.41
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.41
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-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (CID 103360114) is 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is CCCN1CCC(Nc2snc(N)c2OCC)CC1.
What is the InChIKey of 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is NPGLERLSNMQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-3-7-17-8-5-10(6-9-17)15-13-11(18-4-2)12(14)16-19-13/h10,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.41, 6 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-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).