2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H26N6O4S2 — CID 18573670

About 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 18573670) has the molecular formula C24H26N6O4S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 18573670
• Molecular Formula: C24H26N6O4S2
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.15
• IUPAC Name: 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1cn2c(=O)c(C(=O)NCC3CCCC(CNC(=O)c4cnc5sc(C)cn5c4=O)C3)cnc2s1
• InChI: InChI=1S/C24H26N6O4S2/c1-13-11-29-21(33)17(9-27-23(29)35-13)19(31)25-7-15-4-3-5-16(6-15)8-26-20(32)18-10-28-24-30(22(18)34)12-14(2)36-24/h9-12,15-16H,3-8H2,1-2H3,(H,25,31)(H,26,32)
• InChIKey: RSXIVQZMSHCQJV-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 126.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 18573670) is 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCC3CCCC(CNC(=O)c4cnc5sc(C)cn5c4=O)C3)cnc2s1.

What is the InChIKey of 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is RSXIVQZMSHCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S2/c1-13-11-29-21(33)17(9-27-23(29)35-13)19(31)25-7-15-4-3-5-16(6-15)8-26-20(32)18-10-28-24-30(22(18)34)12-14(2)36-24/h9-12,15-16H,3-8H2,1-2H3,(H,25,31)(H,26,32).

What are the key properties of 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[3-[[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]cyclohexyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 18573670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).