N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide

C9H11F3N2OS — CID 115491580

IUPACN-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cscn1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)3-1-2-4-13-8(15)7-5-16-6-14-7/h5-6H,1-4H2,(H,13,15)
InChIKeyYVTDJIRAVCQLIW-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.61
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide

N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide (PubChem CID 115491580) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide
PubChem CID115491580
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cscn1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)3-1-2-4-13-8(15)7-5-16-6-14-7/h5-6H,1-4H2,(H,13,15)
InChIKeyYVTDJIRAVCQLIW-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide (CID 115491580) is N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide is O=C(NCCCCC(F)(F)F)c1cscn1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YVTDJIRAVCQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)3-1-2-4-13-8(15)7-5-16-6-14-7/h5-6H,1-4H2,(H,13,15).
What are the key properties of N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide?
N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 252.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115491580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).