N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide

C14H19N5OS — CID 142574787

IUPACN-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide
SMILESCC(=O)NC(CCCCN)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c1-10(20)17-12(7-2-4-8-15)14-19-18-13(21-14)11-6-3-5-9-16-11/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,17,20)
InChIKeyUUUUMJURIZEFGO-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.91
Rot. Bonds7

About N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide

N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide (PubChem CID 142574787) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound NameN-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide
PubChem CID142574787
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide
SMILESCC(=O)NC(CCCCN)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c1-10(20)17-12(7-2-4-8-15)14-19-18-13(21-14)11-6-3-5-9-16-11/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,17,20)
InChIKeyUUUUMJURIZEFGO-UHFFFAOYSA-N
XLogP1.91
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide?
The IUPAC name of N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide (CID 142574787) is N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide.
What is the SMILES notation for N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide?
The canonical SMILES for N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide is CC(=O)NC(CCCCN)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide?
The InChIKey is UUUUMJURIZEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(20)17-12(7-2-4-8-15)14-19-18-13(21-14)11-6-3-5-9-16-11/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,17,20).
What are the key properties of N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide?
N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 142574787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).