4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole

C10H10F3N3O3S2 — CID 167866045

IUPAC4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole
SMILESCCc1nnc(CS(=O)(=O)Cc2conc2C(F)(F)F)s1
InChIInChI=1S/C10H10F3N3O3S2/c1-2-7-14-15-8(20-7)5-21(17,18)4-6-3-19-16-9(6)10(11,12)13/h3H,2,4-5H2,1H3
InChIKeyPAHRFQWZDNKWBI-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.22
Rot. Bonds5

About 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole

4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 167866045) has the molecular formula C10H10F3N3O3S2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole
PubChem CID167866045
Molecular FormulaC10H10F3N3O3S2
Molecular Weight341.34 g/mol
Exact Mass341.01
IUPAC Name4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole
SMILESCCc1nnc(CS(=O)(=O)Cc2conc2C(F)(F)F)s1
InChIInChI=1S/C10H10F3N3O3S2/c1-2-7-14-15-8(20-7)5-21(17,18)4-6-3-19-16-9(6)10(11,12)13/h3H,2,4-5H2,1H3
InChIKeyPAHRFQWZDNKWBI-UHFFFAOYSA-N
XLogP2.22
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole 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-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole (CID 167866045) is 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole is CCc1nnc(CS(=O)(=O)Cc2conc2C(F)(F)F)s1.
What is the InChIKey of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is PAHRFQWZDNKWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S2/c1-2-7-14-15-8(20-7)5-21(17,18)4-6-3-19-16-9(6)10(11,12)13/h3H,2,4-5H2,1H3.
What are the key properties of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole?
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 341.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonylmethyl]-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 167866045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).