4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide

C7H9F3N4OS — CID 107304739

IUPAC4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESNC(=O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)5-13-6(16-14-5)12-3-1-2-4(11)15/h1-3H2,(H2,11,15)(H,12,13,14)
InChIKeyNLHAXKYQUHVWJZ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.23
Rot. Bonds5

About 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide

4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (PubChem CID 107304739) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
PubChem CID107304739
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESNC(=O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)5-13-6(16-14-5)12-3-1-2-4(11)15/h1-3H2,(H2,11,15)(H,12,13,14)
InChIKeyNLHAXKYQUHVWJZ-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.23
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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Related Compounds

4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304260
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,4-diamine
CID 107304578
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304650
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304721
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304724
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304825
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879
N-propyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304882

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (CID 107304739) is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The canonical SMILES for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is NC(=O)CCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The InChIKey is NLHAXKYQUHVWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c8-7(9,10)5-13-6(16-14-5)12-3-1-2-4(11)15/h1-3H2,(H2,11,15)(H,12,13,14).
What are the key properties of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide has a molecular weight of 254.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is sourced from PubChem (CID 107304739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).