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

C17H25N5O2S — CID 20893332

IUPAC1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)NC(C)C)CC3)sc2n1
InChIInChI=1S/C17H25N5O2S/c1-4-5-13-10-14(23)22-16(19-13)25-17(20-22)21-8-6-12(7-9-21)15(24)18-11(2)3/h10-12H,4-9H2,1-3H3,(H,18,24)
InChIKeyRDQROLMTPUSKHI-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.84
Rot. Bonds5

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

1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 20893332) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID20893332
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)NC(C)C)CC3)sc2n1
InChIInChI=1S/C17H25N5O2S/c1-4-5-13-10-14(23)22-16(19-13)25-17(20-22)21-8-6-12(7-9-21)15(24)18-11(2)3/h10-12H,4-9H2,1-3H3,(H,18,24)
InChIKeyRDQROLMTPUSKHI-UHFFFAOYSA-N
XLogP1.84
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 20893332) is 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is CCCc1cc(=O)n2nc(N3CCC(C(=O)NC(C)C)CC3)sc2n1.
What is the InChIKey of 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RDQROLMTPUSKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-4-5-13-10-14(23)22-16(19-13)25-17(20-22)21-8-6-12(7-9-21)15(24)18-11(2)3/h10-12H,4-9H2,1-3H3,(H,18,24).
What are the key properties of 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20893332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).