1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H19N5O2S2 — CID 47049309

About 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47049309) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 47049309
• Molecular Formula: C17H19N5O2S2
• Molecular Weight: 389.51 g/mol
• Exact Mass: 389.10
• IUPAC Name: 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: Cc1csc2nc(CN3CCCC(C(=O)Nc4nccs4)C3)cc(=O)n12
• InChI: InChI=1S/C17H19N5O2S2/c1-11-10-26-17-19-13(7-14(23)22(11)17)9-21-5-2-3-12(8-21)15(24)20-16-18-4-6-25-16/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,18,20,24)
• InChIKey: JOMWVTUMHKWEII-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.51
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 47049309) is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1csc2nc(CN3CCCC(C(=O)Nc4nccs4)C3)cc(=O)n12.

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

The InChIKey is JOMWVTUMHKWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-11-10-26-17-19-13(7-14(23)22(11)17)9-21-5-2-3-12(8-21)15(24)20-16-18-4-6-25-16/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,18,20,24).

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

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 389.51 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47049309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).