4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide

C11H11F3N4OS — CID 43051639

IUPAC4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
SMILESO=C(CCCc1cccs1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c12-11(13,14)9-16-10(18-17-9)15-8(19)5-1-3-7-4-2-6-20-7/h2,4,6H,1,3,5H2,(H2,15,16,17,18,19)
InChIKeyCXDJGCULQJOFIJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.85
Rot. Bonds5

About 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide

4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide (PubChem CID 43051639) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
PubChem CID43051639
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
SMILESO=C(CCCc1cccs1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c12-11(13,14)9-16-10(18-17-9)15-8(19)5-1-3-7-4-2-6-20-7/h2,4,6H,1,3,5H2,(H2,15,16,17,18,19)
InChIKeyCXDJGCULQJOFIJ-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579570
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]octanamide
CID 78805803
N-[4-oxo-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]butyl]thiophene-3-carboxamide
CID 36579974
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
CID 125136014
N-(4-ethynyl-2,6-difluorophenyl)-4-thiophen-2-ylbutanamide
CID 71908608
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide?
The IUPAC name of 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide (CID 43051639) is 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide.
What is the SMILES notation for 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide?
The canonical SMILES for 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide is O=C(CCCc1cccs1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide?
The InChIKey is CXDJGCULQJOFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c12-11(13,14)9-16-10(18-17-9)15-8(19)5-1-3-7-4-2-6-20-7/h2,4,6H,1,3,5H2,(H2,15,16,17,18,19).
What are the key properties of 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide?
4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide has a molecular weight of 304.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide is sourced from PubChem (CID 43051639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).