N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide

C25H30N6O3S — CID 51363419

About N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 51363419) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
• PubChem CID: 51363419
• Molecular Formula: C25H30N6O3S
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
• SMILES: Cc1cc(C)c(NC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)c(C)c1
• InChI: InChI=1S/C25H30N6O3S/c1-14-10-15(2)20(16(3)11-14)28-19(32)12-31-13-26-22-21(24(31)34)35-25(29-22)30-8-6-17(7-9-30)23(33)27-18-4-5-18/h10-11,13,17-18H,4-9,12H2,1-3H3,(H,27,33)(H,28,32)
• InChIKey: JMRKNHXMDPBDSV-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide (CID 51363419) is N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)c(C)c1.

What is the InChIKey of N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?

The InChIKey is JMRKNHXMDPBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-14-10-15(2)20(16(3)11-14)28-19(32)12-31-13-26-22-21(24(31)34)35-25(29-22)30-8-6-17(7-9-30)23(33)27-18-4-5-18/h10-11,13,17-18H,4-9,12H2,1-3H3,(H,27,33)(H,28,32).

What are the key properties of N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?

N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51363419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).