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

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

(3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide (PubChem CID 99729870) has the molecular formula C21H32N6O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is (3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name	(3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
PubChem CID	99729870
Molecular Formula	C21H32N6O2S
Molecular Weight	432.59 g/mol
Exact Mass	432.23
IUPAC Name	(3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
SMILES	Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCCN4CCC[C@@H](C)C4)C3)sc2n1
InChI	InChI=1S/C21H32N6O2S/c1-15-6-3-9-25(13-15)10-5-8-22-19(29)17-7-4-11-26(14-17)21-24-27-18(28)12-16(2)23-20(27)30-21/h12,15,17H,3-11,13-14H2,1-2H3,(H,22,29)/t15-,17+/m1/s1
InChIKey	NDTWVKMOYUXMHI-WBVHZDCISA-N
XLogP	1.91
TPSA	82.84 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	1.91
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 (3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide (CID 99729870) is (3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide is Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCCN4CCC[C@@H](C)C4)C3)sc2n1.

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

The InChIKey is NDTWVKMOYUXMHI-WBVHZDCISA-N. The full InChI is InChI=1S/C21H32N6O2S/c1-15-6-3-9-25(13-15)10-5-8-22-19(29)17-7-4-11-26(14-17)21-24-27-18(28)12-16(2)23-20(27)30-21/h12,15,17H,3-11,13-14H2,1-2H3,(H,22,29)/t15-,17+/m1/s1.

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

(3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 99729870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).