N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C9H16N4O3S — CID 146048110

IUPACN-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)c1nnc(SCC(=O)N[C@H](O)CN)o1
InChIInChI=1S/C9H16N4O3S/c1-5(2)8-12-13-9(16-8)17-4-7(15)11-6(14)3-10/h5-6,14H,3-4,10H2,1-2H3,(H,11,15)/t6-/m1/s1
InChIKeyFZQWSGUFFBCZLL-ZCFIWIBFSA-N
MW260.32 g/mol
LogP-0.32
Rot. Bonds6

About N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 146048110) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID146048110
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)c1nnc(SCC(=O)N[C@H](O)CN)o1
InChIInChI=1S/C9H16N4O3S/c1-5(2)8-12-13-9(16-8)17-4-7(15)11-6(14)3-10/h5-6,14H,3-4,10H2,1-2H3,(H,11,15)/t6-/m1/s1
InChIKeyFZQWSGUFFBCZLL-ZCFIWIBFSA-N
XLogP-0.32
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 146048110) is N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(C)c1nnc(SCC(=O)N[C@H](O)CN)o1.
What is the InChIKey of N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is FZQWSGUFFBCZLL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-5(2)8-12-13-9(16-8)17-4-7(15)11-6(14)3-10/h5-6,14H,3-4,10H2,1-2H3,(H,11,15)/t6-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 260.32 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 146048110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).