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

C13H16N4OS — CID 114929424

IUPAC2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
SMILESCc1nsc(NC(=O)C(N)CCc2ccccc2)n1
InChIInChI=1S/C13H16N4OS/c1-9-15-13(19-17-9)16-12(18)11(14)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,14H2,1H3,(H,15,16,17,18)
InChIKeyAPGKUCQVWLTRLV-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.75
Rot. Bonds5

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

2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide (PubChem CID 114929424) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
PubChem CID114929424
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
SMILESCc1nsc(NC(=O)C(N)CCc2ccccc2)n1
InChIInChI=1S/C13H16N4OS/c1-9-15-13(19-17-9)16-12(18)11(14)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,14H2,1H3,(H,15,16,17,18)
InChIKeyAPGKUCQVWLTRLV-UHFFFAOYSA-N
XLogP1.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976448
(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 87753715
(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984764
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104874325
2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 114172141
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160
(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
CID 104984517
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide (CID 114929424) is 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide is Cc1nsc(NC(=O)C(N)CCc2ccccc2)n1.
What is the InChIKey of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide?
The InChIKey is APGKUCQVWLTRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-15-13(19-17-9)16-12(18)11(14)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,14H2,1H3,(H,15,16,17,18).
What are the key properties of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide?
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide has a molecular weight of 276.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide is sourced from PubChem (CID 114929424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).