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

C14H18N4OS — CID 103807918

IUPAC3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
SMILESCCc1nnc(NC(=O)C(C)C(N)c2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-11-17-18-14(20-11)16-13(19)9(2)12(15)10-7-5-4-6-8-10/h4-9,12H,3,15H2,1-2H3,(H,16,18,19)
InChIKeyYAYZUXIVDAUHEP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.38
Rot. Bonds5

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

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide (PubChem CID 103807918) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
PubChem CID103807918
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
SMILESCCc1nnc(NC(=O)C(C)C(N)c2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-11-17-18-14(20-11)16-13(19)9(2)12(15)10-7-5-4-6-8-10/h4-9,12H,3,15H2,1-2H3,(H,16,18,19)
InChIKeyYAYZUXIVDAUHEP-UHFFFAOYSA-N
XLogP2.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119745212
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1019431
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide (CID 103807918) is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide is CCc1nnc(NC(=O)C(C)C(N)c2ccccc2)s1.
What is the InChIKey of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide?
The InChIKey is YAYZUXIVDAUHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-11-17-18-14(20-11)16-13(19)9(2)12(15)10-7-5-4-6-8-10/h4-9,12H,3,15H2,1-2H3,(H,16,18,19).
What are the key properties of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide?
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 103807918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).