5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C17H25N5O3S — CID 20942677

IUPAC5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)OCCCNC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O
InChIInChI=1S/C17H25N5O3S/c1-12(2)25-10-6-7-18-14(23)13-11-19-16-22(15(13)24)20-17(26-16)21-8-4-3-5-9-21/h11-12H,3-10H2,1-2H3,(H,18,23)
InChIKeyQRXVAOWXUDVYPV-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.69
Rot. Bonds7

About 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942677) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942677
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)OCCCNC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O
InChIInChI=1S/C17H25N5O3S/c1-12(2)25-10-6-7-18-14(23)13-11-19-16-22(15(13)24)20-17(26-16)21-8-4-3-5-9-21/h11-12H,3-10H2,1-2H3,(H,18,23)
InChIKeyQRXVAOWXUDVYPV-UHFFFAOYSA-N
XLogP1.69
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.69
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 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942677) is 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)OCCCNC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O.
What is the InChIKey of 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QRXVAOWXUDVYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-12(2)25-10-6-7-18-14(23)13-11-19-16-22(15(13)24)20-17(26-16)21-8-4-3-5-9-21/h11-12H,3-10H2,1-2H3,(H,18,23).
What are the key properties of 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).