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

C10H14F3N3O2S2 — CID 103349733

IUPAC4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCCC(F)(F)F)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H14F3N3O2S2/c11-10(12,13)4-1-5-15-9-7(8(14)16-19-9)20(17,18)6-2-3-6/h6,15H,1-5H2,(H2,14,16)
InChIKeyGPDKAUTXYGCIOF-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.42
Rot. Bonds6

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

4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349733) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
PubChem CID103349733
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCCC(F)(F)F)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H14F3N3O2S2/c11-10(12,13)4-1-5-15-9-7(8(14)16-19-9)20(17,18)6-2-3-6/h6,15H,1-5H2,(H2,14,16)
InChIKeyGPDKAUTXYGCIOF-UHFFFAOYSA-N
XLogP2.42
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine (CID 103349733) is 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCCC(F)(F)F)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is GPDKAUTXYGCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c11-10(12,13)4-1-5-15-9-7(8(14)16-19-9)20(17,18)6-2-3-6/h6,15H,1-5H2,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 329.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).