N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide

C15H17N7O2S — CID 124756756

IUPACN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESC[C@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1nnc(N)s1
InChIInChI=1S/C15H17N7O2S/c1-9(14-20-21-15(16)25-14)18-11(23)3-2-4-12-19-13(22-24-12)10-5-7-17-8-6-10/h5-9H,2-4H2,1H3,(H2,16,21)(H,18,23)/t9-/m0/s1
InChIKeyUMKMPPLNHUFXGJ-VIFPVBQESA-N
MW359.42 g/mol
LogP1.77
Rot. Bonds7

About N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 124756756) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID124756756
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESC[C@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1nnc(N)s1
InChIInChI=1S/C15H17N7O2S/c1-9(14-20-21-15(16)25-14)18-11(23)3-2-4-12-19-13(22-24-12)10-5-7-17-8-6-10/h5-9H,2-4H2,1H3,(H2,16,21)(H,18,23)/t9-/m0/s1
InChIKeyUMKMPPLNHUFXGJ-VIFPVBQESA-N
XLogP1.77
TPSA132.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91828742
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 124756585
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 16583200
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 42921804
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251222

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 124756756) is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide is C[C@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1nnc(N)s1.
What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is UMKMPPLNHUFXGJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-9(14-20-21-15(16)25-14)18-11(23)3-2-4-12-19-13(22-24-12)10-5-7-17-8-6-10/h5-9H,2-4H2,1H3,(H2,16,21)(H,18,23)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 359.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 124756756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).