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

C18H27N5O3S — CID 20893367

IUPACN-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)NCCCOC)CC3)sc2n1
InChIInChI=1S/C18H27N5O3S/c1-3-5-14-12-15(24)23-17(20-14)27-18(21-23)22-9-6-13(7-10-22)16(25)19-8-4-11-26-2/h12-13H,3-11H2,1-2H3,(H,19,25)
InChIKeyNGUYDYSBEWYGSZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.47
Rot. Bonds8

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

N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20893367) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID20893367
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)NCCCOC)CC3)sc2n1
InChIInChI=1S/C18H27N5O3S/c1-3-5-14-12-15(24)23-17(20-14)27-18(21-23)22-9-6-13(7-10-22)16(25)19-8-4-11-26-2/h12-13H,3-11H2,1-2H3,(H,19,25)
InChIKeyNGUYDYSBEWYGSZ-UHFFFAOYSA-N
XLogP1.47
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.47
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)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20893367) is N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCCOC)CC3)sc2n1.
What is the InChIKey of N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is NGUYDYSBEWYGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-3-5-14-12-15(24)23-17(20-14)27-18(21-23)22-9-6-13(7-10-22)16(25)19-8-4-11-26-2/h12-13H,3-11H2,1-2H3,(H,19,25).
What are the key properties of N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).