(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one

C11H19N5OS — CID 75496009

IUPAC(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCCc1nsc(N2CCN(C(=O)[C@@H](C)N)CC2)n1
InChIInChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)16-6-4-15(5-7-16)10(17)8(2)12/h8H,3-7,12H2,1-2H3/t8-/m1/s1
InChIKeyUHXQIXRNVCNNLB-MRVPVSSYSA-N
MW269.37 g/mol
LogP0.10
Rot. Bonds3

About (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 75496009) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
PubChem CID75496009
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCCc1nsc(N2CCN(C(=O)[C@@H](C)N)CC2)n1
InChIInChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)16-6-4-15(5-7-16)10(17)8(2)12/h8H,3-7,12H2,1-2H3/t8-/m1/s1
InChIKeyUHXQIXRNVCNNLB-MRVPVSSYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one 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 (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one (CID 75496009) is (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one is CCc1nsc(N2CCN(C(=O)[C@@H](C)N)CC2)n1.
What is the InChIKey of (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is UHXQIXRNVCNNLB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)16-6-4-15(5-7-16)10(17)8(2)12/h8H,3-7,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 269.37 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75496009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).