4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide

C8H10F3N3O2S — CID 113249075

IUPAC4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-2-4-6(17-14-13-4)7(16)12-3-5(15)8(9,10)11/h5,15H,2-3H2,1H3,(H,12,16)
InChIKeyFNPZJMQSQXPFNJ-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.75
Rot. Bonds4

About 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide

4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (PubChem CID 113249075) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
PubChem CID113249075
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-2-4-6(17-14-13-4)7(16)12-3-5(15)8(9,10)11/h5,15H,2-3H2,1H3,(H,12,16)
InChIKeyFNPZJMQSQXPFNJ-UHFFFAOYSA-N
XLogP0.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (CID 113249075) is 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The InChIKey is FNPZJMQSQXPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-2-4-6(17-14-13-4)7(16)12-3-5(15)8(9,10)11/h5,15H,2-3H2,1H3,(H,12,16).
What are the key properties of 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide has a molecular weight of 269.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 113249075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).