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

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

N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 20893008) has the molecular formula C19H30N6O2S and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name	N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID	20893008
Molecular Formula	C19H30N6O2S
Molecular Weight	406.56 g/mol
Exact Mass	406.22
IUPAC Name	N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILES	CCN(CC)CCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1
InChI	InChI=1S/C19H30N6O2S/c1-4-23(5-2)10-7-9-20-17(27)15-8-6-11-24(13-15)19-22-25-16(26)12-14(3)21-18(25)28-19/h12,15H,4-11,13H2,1-3H3,(H,20,27)
InChIKey	QJGGHCHZDNVFKJ-UHFFFAOYSA-N
XLogP	1.52
TPSA	82.84 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.56
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?

The IUPAC name of N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (CID 20893008) is N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is CCN(CC)CCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1.

What is the InChIKey of N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?

The InChIKey is QJGGHCHZDNVFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2S/c1-4-23(5-2)10-7-9-20-17(27)15-8-6-11-24(13-15)19-22-25-16(26)12-14(3)21-18(25)28-19/h12,15H,4-11,13H2,1-3H3,(H,20,27).

What are the key properties of N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?

N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20893008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).