2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide

C13H15N3OS — CID 47099211

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
SMILESCc1nnc(NC(=O)C(C)(C)c2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-9-15-16-12(18-9)14-11(17)13(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16,17)
InChIKeyBQGXUVMAALRILF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide (PubChem CID 47099211) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
PubChem CID47099211
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
SMILESCc1nnc(NC(=O)C(C)(C)c2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-9-15-16-12(18-9)14-11(17)13(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16,17)
InChIKeyBQGXUVMAALRILF-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-[4-[5-[(2-methyl-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylpropanamide
CID 90165486
2-amino-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119265894
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 693358
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 115577507
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide (CID 47099211) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide is Cc1nnc(NC(=O)C(C)(C)c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
The InChIKey is BQGXUVMAALRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-15-16-12(18-9)14-11(17)13(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide has a molecular weight of 261.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 47099211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).