5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide

C10H15F3N4OS — CID 115522177

IUPAC5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCCCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4OS/c1-2-14-9-17-16-8(19-9)7(18)15-6-4-3-5-10(11,12)13/h2-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyFMAYCZMAHGJKKH-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.43
Rot. Bonds7

About 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 115522177) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID115522177
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCCCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4OS/c1-2-14-9-17-16-8(19-9)7(18)15-6-4-3-5-10(11,12)13/h2-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyFMAYCZMAHGJKKH-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
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 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide (CID 115522177) is 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCCCCC(F)(F)F)s1.
What is the InChIKey of 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FMAYCZMAHGJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-2-14-9-17-16-8(19-9)7(18)15-6-4-3-5-10(11,12)13/h2-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 115522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).