2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide

C13H22N6O2S — CID 46883318

IUPAC2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide
SMILESN#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H22N6O2S/c14-5-11-8-22-9-18(11)13(21)7-19(16)10-1-3-17(4-2-10)6-12(15)20/h10-11H,1-4,6-9,16H2,(H2,15,20)/t11-/m1/s1
InChIKeyJNWVMUITHOBBOL-LLVKDONJSA-N
MW326.43 g/mol
LogP-1.46
Rot. Bonds5

About 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide

2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide (PubChem CID 46883318) has the molecular formula C13H22N6O2S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide
PubChem CID46883318
Molecular FormulaC13H22N6O2S
Molecular Weight326.43 g/mol
Exact Mass326.15
IUPAC Name2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide
SMILESN#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H22N6O2S/c14-5-11-8-22-9-18(11)13(21)7-19(16)10-1-3-17(4-2-10)6-12(15)20/h10-11H,1-4,6-9,16H2,(H2,15,20)/t11-/m1/s1
InChIKeyJNWVMUITHOBBOL-LLVKDONJSA-N
XLogP-1.46
TPSA119.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide (CID 46883318) is 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide is N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide?
The InChIKey is JNWVMUITHOBBOL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N6O2S/c14-5-11-8-22-9-18(11)13(21)7-19(16)10-1-3-17(4-2-10)6-12(15)20/h10-11H,1-4,6-9,16H2,(H2,15,20)/t11-/m1/s1.
What are the key properties of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide?
2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide has a molecular weight of 326.43 g/mol, XLogP of -1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 46883318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).