2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride

C16H23ClN4OS — CID 120586738

IUPAC2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride
SMILESCCC(CC)c1nnc(NC(=O)C(C)(N)c2ccccc2)s1.Cl
InChIInChI=1S/C16H22N4OS.ClH/c1-4-11(5-2)13-19-20-15(22-13)18-14(21)16(3,17)12-9-7-6-8-10-12;/h6-11H,4-5,17H2,1-3H3,(H,18,20,21);1H
InChIKeyGGYGJQQPRZNSJI-UHFFFAOYSA-N
MW354.91 g/mol
LogP3.68
Rot. Bonds6

About 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride

2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride (PubChem CID 120586738) has the molecular formula C16H23ClN4OS and a molecular weight of 354.91 g/mol. Its IUPAC name is 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride
PubChem CID120586738
Molecular FormulaC16H23ClN4OS
Molecular Weight354.91 g/mol
Exact Mass354.13
IUPAC Name2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride
SMILESCCC(CC)c1nnc(NC(=O)C(C)(N)c2ccccc2)s1.Cl
InChIInChI=1S/C16H22N4OS.ClH/c1-4-11(5-2)13-19-20-15(22-13)18-14(21)16(3,17)12-9-7-6-8-10-12;/h6-11H,4-5,17H2,1-3H3,(H,18,20,21);1H
InChIKeyGGYGJQQPRZNSJI-UHFFFAOYSA-N
XLogP3.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
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N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylthiourea
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N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
N-[4-oxo-4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 24668127
(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 119679541
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 112825287
(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 119266054
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride (CID 120586738) is 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride is CCC(CC)c1nnc(NC(=O)C(C)(N)c2ccccc2)s1.Cl.
What is the InChIKey of 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride?
The InChIKey is GGYGJQQPRZNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.ClH/c1-4-11(5-2)13-19-20-15(22-13)18-14(21)16(3,17)12-9-7-6-8-10-12;/h6-11H,4-5,17H2,1-3H3,(H,18,20,21);1H.
What are the key properties of 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride has a molecular weight of 354.91 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120586738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).