N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide

C11H10F3N5OS — CID 87040895

IUPACN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cnsn1
InChIInChI=1S/C11H10F3N5OS/c12-11(13,14)7-2-1-3-15-9(7)16-4-5-17-10(20)8-6-18-21-19-8/h1-3,6H,4-5H2,(H,15,16)(H,17,20)
InChIKeyOEHFIBAOKVIZTD-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.79
Rot. Bonds5

About N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide

N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 87040895) has the molecular formula C11H10F3N5OS and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID87040895
Molecular FormulaC11H10F3N5OS
Molecular Weight317.30 g/mol
Exact Mass317.06
IUPAC NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cnsn1
InChIInChI=1S/C11H10F3N5OS/c12-11(13,14)7-2-1-3-15-9(7)16-4-5-17-10(20)8-6-18-21-19-8/h1-3,6H,4-5H2,(H,15,16)(H,17,20)
InChIKeyOEHFIBAOKVIZTD-UHFFFAOYSA-N
XLogP1.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide (CID 87040895) is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide is O=C(NCCNc1ncccc1C(F)(F)F)c1cnsn1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is OEHFIBAOKVIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS/c12-11(13,14)7-2-1-3-15-9(7)16-4-5-17-10(20)8-6-18-21-19-8/h1-3,6H,4-5H2,(H,15,16)(H,17,20).
What are the key properties of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide?
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 87040895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).