4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine

C13H23N3O2S2 — CID 103348949

IUPAC4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H23N3O2S2/c1-4-8(2)7-9(3)15-13-11(12(14)16-19-13)20(17,18)10-5-6-10/h8-10,15H,4-7H2,1-3H3,(H2,14,16)
InChIKeyAJKHYDMUPHQWJA-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.90
Rot. Bonds7

About 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348949) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348949
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H23N3O2S2/c1-4-8(2)7-9(3)15-13-11(12(14)16-19-13)20(17,18)10-5-6-10/h8-10,15H,4-7H2,1-3H3,(H2,14,16)
InChIKeyAJKHYDMUPHQWJA-UHFFFAOYSA-N
XLogP2.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-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-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine (CID 103348949) is 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine is CCC(C)CC(C)Nc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is AJKHYDMUPHQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-8(2)7-9(3)15-13-11(12(14)16-19-13)20(17,18)10-5-6-10/h8-10,15H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).