5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C13H25N3O3S2 — CID 103360766

IUPAC5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(CCOC)CC(C)C
InChIInChI=1S/C13H25N3O3S2/c1-5-8-21(17,18)11-12(14)15-20-13(11)16(6-7-19-4)9-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15)
InChIKeyBKQDFGOORPXBCE-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.02
Rot. Bonds9

About 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103360766) has the molecular formula C13H25N3O3S2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103360766
Molecular FormulaC13H25N3O3S2
Molecular Weight335.50 g/mol
Exact Mass335.13
IUPAC Name5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(CCOC)CC(C)C
InChIInChI=1S/C13H25N3O3S2/c1-5-8-21(17,18)11-12(14)15-20-13(11)16(6-7-19-4)9-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15)
InChIKeyBKQDFGOORPXBCE-UHFFFAOYSA-N
XLogP2.02
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-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 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103360766) is 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1N(CCOC)CC(C)C.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is BKQDFGOORPXBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S2/c1-5-8-21(17,18)11-12(14)15-20-13(11)16(6-7-19-4)9-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 335.50 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).