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

C10H13F3N4OS — CID 107305040

IUPACN-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESO=C(CCCNc1nc(C(F)(F)F)ns1)NC1CC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)8-16-9(19-17-8)14-5-1-2-7(18)15-6-3-4-6/h6H,1-5H2,(H,15,18)(H,14,16,17)
InChIKeyWVIUETLEOWBGJH-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.03
Rot. Bonds6

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

N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (PubChem CID 107305040) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
PubChem CID107305040
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC NameN-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESO=C(CCCNc1nc(C(F)(F)F)ns1)NC1CC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)8-16-9(19-17-8)14-5-1-2-7(18)15-6-3-4-6/h6H,1-5H2,(H,15,18)(H,14,16,17)
InChIKeyWVIUETLEOWBGJH-UHFFFAOYSA-N
XLogP2.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.03
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]pyrrolidin-2-one
CID 106191970
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304728
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107304739
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-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304835
N-propyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304882
5-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304953
5-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one
CID 107304982
1-Methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304993
N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305039

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (CID 107305040) is N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is O=C(CCCNc1nc(C(F)(F)F)ns1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The InChIKey is WVIUETLEOWBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)8-16-9(19-17-8)14-5-1-2-7(18)15-6-3-4-6/h6H,1-5H2,(H,15,18)(H,14,16,17).
What are the key properties of N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide has a molecular weight of 294.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is sourced from PubChem (CID 107305040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).