(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

C12H14ClFN4OS — CID 119319928

IUPAC(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1nnc(Cc2ccccc2F)s1.Cl
InChIInChI=1S/C12H13FN4OS.ClH/c1-7(14)11(18)15-12-17-16-10(19-12)6-8-4-2-3-5-9(8)13;/h2-5,7H,6,14H2,1H3,(H,15,17,18);1H/t7-;/m1./s1
InChIKeyDNSSTBOWHNADJG-OGFXRTJISA-N
MW316.79 g/mol
LogP1.98
Rot. Bonds4

About (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (PubChem CID 119319928) has the molecular formula C12H14ClFN4OS and a molecular weight of 316.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
PubChem CID119319928
Molecular FormulaC12H14ClFN4OS
Molecular Weight316.79 g/mol
Exact Mass316.06
IUPAC Name(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1nnc(Cc2ccccc2F)s1.Cl
InChIInChI=1S/C12H13FN4OS.ClH/c1-7(14)11(18)15-12-17-16-10(19-12)6-8-4-2-3-5-9(8)13;/h2-5,7H,6,14H2,1H3,(H,15,17,18);1H/t7-;/m1./s1
InChIKeyDNSSTBOWHNADJG-OGFXRTJISA-N
XLogP1.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119338753
(3S)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 133451818
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119338754
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 921255
1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926390
3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)-1-propylurea
CID 111109536
3-bromo-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 23909333
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119319932

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (CID 119319928) is (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is C[C@@H](N)C(=O)Nc1nnc(Cc2ccccc2F)s1.Cl.
What is the InChIKey of (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The InChIKey is DNSSTBOWHNADJG-OGFXRTJISA-N. The full InChI is InChI=1S/C12H13FN4OS.ClH/c1-7(14)11(18)15-12-17-16-10(19-12)6-8-4-2-3-5-9(8)13;/h2-5,7H,6,14H2,1H3,(H,15,17,18);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 1.98, 4 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-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119319928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).