4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H19N3O4S — CID 120530058

About 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120530058) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
• PubChem CID: 120530058
• Molecular Formula: C16H19N3O4S
• Molecular Weight: 349.41 g/mol
• Exact Mass: 349.11
• IUPAC Name: 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
• SMILES: Cc1csc2ncc(C(=O)NC3(C(=O)O)CCC(C)CC3)c(=O)n12
• InChI: InChI=1S/C16H19N3O4S/c1-9-3-5-16(6-4-9,14(22)23)18-12(20)11-7-17-15-19(13(11)21)10(2)8-24-15/h7-9H,3-6H2,1-2H3,(H,18,20)(H,22,23)
• InChIKey: PXVDPZGMWIMRBI-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.41
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120530058) is 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1csc2ncc(C(=O)NC3(C(=O)O)CCC(C)CC3)c(=O)n12.

What is the InChIKey of 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?

The InChIKey is PXVDPZGMWIMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-9-3-5-16(6-4-9,14(22)23)18-12(20)11-7-17-15-19(13(11)21)10(2)8-24-15/h7-9H,3-6H2,1-2H3,(H,18,20)(H,22,23).

What are the key properties of 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?

4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120530058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).