N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide

C8H10F3N3O2S — CID 87023272

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1cnns1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)5-16-3-1-2-12-7(15)6-4-13-14-17-6/h4H,1-3,5H2,(H,12,15)
InChIKeySWBXITWGSLZOQL-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.24
Rot. Bonds6

About N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide

N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide (PubChem CID 87023272) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide
PubChem CID87023272
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1cnns1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)5-16-3-1-2-12-7(15)6-4-13-14-17-6/h4H,1-3,5H2,(H,12,15)
InChIKeySWBXITWGSLZOQL-UHFFFAOYSA-N
XLogP1.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide (CID 87023272) is N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide is O=C(NCCCOCC(F)(F)F)c1cnns1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide?
The InChIKey is SWBXITWGSLZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)5-16-3-1-2-12-7(15)6-4-13-14-17-6/h4H,1-3,5H2,(H,12,15).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide has a molecular weight of 269.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 87023272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).