N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide

C15H17N5OS — CID 166785667

IUPACN-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(N3CCCS3)c2)ccn1
InChIInChI=1S/C15H17N5OS/c1-10(21)19-14-8-11(3-4-17-14)12-7-13(15(16)18-9-12)20-5-2-6-22-20/h3-4,7-9H,2,5-6H2,1H3,(H2,16,18)(H,17,19,21)
InChIKeyLXMQTGSKEBSPFN-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.54
Rot. Bonds3

About N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 166785667) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID166785667
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(N3CCCS3)c2)ccn1
InChIInChI=1S/C15H17N5OS/c1-10(21)19-14-8-11(3-4-17-14)12-7-13(15(16)18-9-12)20-5-2-6-22-20/h3-4,7-9H,2,5-6H2,1H3,(H2,16,18)(H,17,19,21)
InChIKeyLXMQTGSKEBSPFN-UHFFFAOYSA-N
XLogP2.54
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 166785667) is N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(N3CCCS3)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is LXMQTGSKEBSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10(21)19-14-8-11(3-4-17-14)12-7-13(15(16)18-9-12)20-5-2-6-22-20/h3-4,7-9H,2,5-6H2,1H3,(H2,16,18)(H,17,19,21).
What are the key properties of N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166785667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).