4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine

C11H17N5O2S2 — CID 103359563

IUPAC4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCn1cccn1
InChIInChI=1S/C11H17N5O2S2/c1-2-8-20(17,18)9-10(12)15-19-11(9)13-5-7-16-6-3-4-14-16/h3-4,6,13H,2,5,7-8H2,1H3,(H2,12,15)
InChIKeyWSGAVGMDMXNDTE-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.22
Rot. Bonds7

About 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine

4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359563) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103359563
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCn1cccn1
InChIInChI=1S/C11H17N5O2S2/c1-2-8-20(17,18)9-10(12)15-19-11(9)13-5-7-16-6-3-4-14-16/h3-4,6,13H,2,5,7-8H2,1H3,(H2,12,15)
InChIKeyWSGAVGMDMXNDTE-UHFFFAOYSA-N
XLogP1.22
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine (CID 103359563) is 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NCCn1cccn1.
What is the InChIKey of 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is WSGAVGMDMXNDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-2-8-20(17,18)9-10(12)15-19-11(9)13-5-7-16-6-3-4-14-16/h3-4,6,13H,2,5,7-8H2,1H3,(H2,12,15).
What are the key properties of 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine?
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 315.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).