(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride

C11H13ClN4OS — CID 70531106

IUPAC(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCl.N[C@H](Cc1ccccc1)C(=O)Nc1nncs1
InChIInChI=1S/C11H12N4OS.ClH/c12-9(6-8-4-2-1-3-5-8)10(16)14-11-15-13-7-17-11;/h1-5,7,9H,6,12H2,(H,14,15,16);1H/t9-;/m1./s1
InChIKeyJVBWUNZXEMJSCD-SBSPUUFOSA-N
MW284.77 g/mol
LogP1.47
Rot. Bonds4

About (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride

(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (PubChem CID 70531106) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
PubChem CID70531106
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCl.N[C@H](Cc1ccccc1)C(=O)Nc1nncs1
InChIInChI=1S/C11H12N4OS.ClH/c12-9(6-8-4-2-1-3-5-8)10(16)14-11-15-13-7-17-11;/h1-5,7,9H,6,12H2,(H,14,15,16);1H/t9-;/m1./s1
InChIKeyJVBWUNZXEMJSCD-SBSPUUFOSA-N
XLogP1.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
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(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-(1,2-oxazol-3-yl)-3-phenylpropanamide
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(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 61474780
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
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2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (CID 70531106) is (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is Cl.N[C@H](Cc1ccccc1)C(=O)Nc1nncs1.
What is the InChIKey of (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The InChIKey is JVBWUNZXEMJSCD-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12N4OS.ClH/c12-9(6-8-4-2-1-3-5-8)10(16)14-11-15-13-7-17-11;/h1-5,7,9H,6,12H2,(H,14,15,16);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride has a molecular weight of 284.77 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 70531106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).