2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

C10H12F3N3O3S2 — CID 136574265

IUPAC2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COCC1CCCO1)Nc1nnc(SC(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O3S2/c11-10(12,13)21-9-16-15-8(20-9)14-7(17)5-18-4-6-2-1-3-19-6/h6H,1-5H2,(H,14,15,17)
InChIKeyWTSVLDICLIQYPK-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.28
Rot. Bonds6

About 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 136574265) has the molecular formula C10H12F3N3O3S2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID136574265
Molecular FormulaC10H12F3N3O3S2
Molecular Weight343.35 g/mol
Exact Mass343.03
IUPAC Name2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COCC1CCCO1)Nc1nnc(SC(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O3S2/c11-10(12,13)21-9-16-15-8(20-9)14-7(17)5-18-4-6-2-1-3-19-6/h6H,1-5H2,(H,14,15,17)
InChIKeyWTSVLDICLIQYPK-UHFFFAOYSA-N
XLogP2.28
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 136574265) is 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(COCC1CCCO1)Nc1nnc(SC(F)(F)F)s1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WTSVLDICLIQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S2/c11-10(12,13)21-9-16-15-8(20-9)14-7(17)5-18-4-6-2-1-3-19-6/h6H,1-5H2,(H,14,15,17).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 136574265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).