2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide

C11H17N5O3S — CID 102630077

IUPAC2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1nnc(CN)o1
InChIInChI=1S/C11H17N5O3S/c1-16(5-8(17)13-7-2-3-7)10(18)6-20-11-15-14-9(4-12)19-11/h7H,2-6,12H2,1H3,(H,13,17)
InChIKeyXSPPSMFZUZGVDZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.64
Rot. Bonds7

About 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 102630077) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
PubChem CID102630077
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1nnc(CN)o1
InChIInChI=1S/C11H17N5O3S/c1-16(5-8(17)13-7-2-3-7)10(18)6-20-11-15-14-9(4-12)19-11/h7H,2-6,12H2,1H3,(H,13,17)
InChIKeyXSPPSMFZUZGVDZ-UHFFFAOYSA-N
XLogP-0.64
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide 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

2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 9416949
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8601346
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665
N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 1166066
[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium
CID 9377520
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
CID 6603366
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 102630296
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide (CID 102630077) is 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(=O)CSc1nnc(CN)o1.
What is the InChIKey of 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is XSPPSMFZUZGVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-16(5-8(17)13-7-2-3-7)10(18)6-20-11-15-14-9(4-12)19-11/h7H,2-6,12H2,1H3,(H,13,17).
What are the key properties of 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 299.36 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 102630077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).