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

C7H9F3N4OS — CID 107304879

IUPACN-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-11-4(15)2-3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyNZOOXGMYVSKDCL-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.10
Rot. Bonds4

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

N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107304879) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107304879
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC NameN-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-11-4(15)2-3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyNZOOXGMYVSKDCL-UHFFFAOYSA-N
XLogP1.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107304879) is N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CNC(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is NZOOXGMYVSKDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-11-4(15)2-3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 254.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107304879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).