(4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile

C11H19N5OS — CID 46883006

IUPAC(4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#C[C@@H]1CSCN1C(=O)CN(N)C1CCNCC1
InChIInChI=1S/C11H19N5OS/c12-5-10-7-18-8-15(10)11(17)6-16(13)9-1-3-14-4-2-9/h9-10,14H,1-4,6-8,13H2/t10-/m1/s1
InChIKeyHZBINJRBESHRCR-SNVBAGLBSA-N
MW269.37 g/mol
LogP-0.66
Rot. Bonds3

About (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile

(4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile (PubChem CID 46883006) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile
PubChem CID46883006
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name(4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#C[C@@H]1CSCN1C(=O)CN(N)C1CCNCC1
InChIInChI=1S/C11H19N5OS/c12-5-10-7-18-8-15(10)11(17)6-16(13)9-1-3-14-4-2-9/h9-10,14H,1-4,6-8,13H2/t10-/m1/s1
InChIKeyHZBINJRBESHRCR-SNVBAGLBSA-N
XLogP-0.66
TPSA85.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile (CID 46883006) is (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile is N#C[C@@H]1CSCN1C(=O)CN(N)C1CCNCC1.
What is the InChIKey of (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
The InChIKey is HZBINJRBESHRCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N5OS/c12-5-10-7-18-8-15(10)11(17)6-16(13)9-1-3-14-4-2-9/h9-10,14H,1-4,6-8,13H2/t10-/m1/s1.
What are the key properties of (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
(4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[amino(piperidin-4-yl)amino]acetyl]-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 46883006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).