4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

C13H24N4O2S2 — CID 103359190

IUPAC4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)N1CCCCC1
InChIInChI=1S/C13H24N4O2S2/c1-3-21(18,19)11-12(14)16-20-13(11)15-9-10(2)17-7-5-4-6-8-17/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyJSAHMRAPBHAQIT-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.81
Rot. Bonds6

About 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359190) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103359190
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)N1CCCCC1
InChIInChI=1S/C13H24N4O2S2/c1-3-21(18,19)11-12(14)16-20-13(11)15-9-10(2)17-7-5-4-6-8-17/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyJSAHMRAPBHAQIT-UHFFFAOYSA-N
XLogP1.81
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (CID 103359190) is 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCC(C)N1CCCCC1.
What is the InChIKey of 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is JSAHMRAPBHAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-3-21(18,19)11-12(14)16-20-13(11)15-9-10(2)17-7-5-4-6-8-17/h10,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 332.50 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).