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

C7H9F3N4OS — CID 119338754

IUPAC(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1
InChIInChI=1S/C7H9F3N4OS/c1-3(11)5(15)12-6-14-13-4(16-6)2-7(8,9)10/h3H,2,11H2,1H3,(H,12,14,15)/t3-/m1/s1
InChIKeyVDXYCSQDVUZBMY-GSVOUGTGSA-N
MW254.24 g/mol
LogP0.93
Rot. Bonds3

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

(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 119338754) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID119338754
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1
InChIInChI=1S/C7H9F3N4OS/c1-3(11)5(15)12-6-14-13-4(16-6)2-7(8,9)10/h3H,2,11H2,1H3,(H,12,14,15)/t3-/m1/s1
InChIKeyVDXYCSQDVUZBMY-GSVOUGTGSA-N
XLogP0.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119338753
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
CID 120795509
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119319928
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236
N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
CID 127499950
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 119338754) is (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide is C[C@@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1.
What is the InChIKey of (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is VDXYCSQDVUZBMY-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-3(11)5(15)12-6-14-13-4(16-6)2-7(8,9)10/h3H,2,11H2,1H3,(H,12,14,15)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide?
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 254.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 119338754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).