4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride

C8H9FN4O2S2 — CID 165488327

IUPAC4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCn1c(-c2cscn2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H9FN4O2S2/c1-2-3-13-7(6-4-16-5-10-6)11-12-8(13)17(9,14)15/h4-5H,2-3H2,1H3
InChIKeyOOFKYQJMLYECMP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.47
Rot. Bonds4

About 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride

4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165488327) has the molecular formula C8H9FN4O2S2 and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165488327
Molecular FormulaC8H9FN4O2S2
Molecular Weight276.32 g/mol
Exact Mass276.02
IUPAC Name4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCn1c(-c2cscn2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H9FN4O2S2/c1-2-3-13-7(6-4-16-5-10-6)11-12-8(13)17(9,14)15/h4-5H,2-3H2,1H3
InChIKeyOOFKYQJMLYECMP-UHFFFAOYSA-N
XLogP1.47
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride 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-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165488327) is 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride is CCCn1c(-c2cscn2)nnc1S(=O)(=O)F.
What is the InChIKey of 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is OOFKYQJMLYECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O2S2/c1-2-3-13-7(6-4-16-5-10-6)11-12-8(13)17(9,14)15/h4-5H,2-3H2,1H3.
What are the key properties of 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride?
4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 276.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-(1,3-thiazol-4-yl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165488327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).