N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

C15H23N5O3S — CID 20893234

IUPACN-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCCOC)sc2n1
InChIInChI=1S/C15H23N5O3S/c1-4-6-11-9-13(22)20-14(17-11)24-15(18-20)19(2)10-12(21)16-7-5-8-23-3/h9H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyREAXHPWLGNGXTM-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.69
Rot. Bonds9

About N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893234) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893234
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCCOC)sc2n1
InChIInChI=1S/C15H23N5O3S/c1-4-6-11-9-13(22)20-14(17-11)24-15(18-20)19(2)10-12(21)16-7-5-8-23-3/h9H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyREAXHPWLGNGXTM-UHFFFAOYSA-N
XLogP0.69
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893234) is N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)NCCCOC)sc2n1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is REAXHPWLGNGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-4-6-11-9-13(22)20-14(17-11)24-15(18-20)19(2)10-12(21)16-7-5-8-23-3/h9H,4-8,10H2,1-3H3,(H,16,21).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 353.45 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).