5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C18H21N5O3S — CID 97282875

About 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 97282875) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
• PubChem CID: 97282875
• Molecular Formula: C18H21N5O3S
• Molecular Weight: 387.47 g/mol
• Exact Mass: 387.14
• IUPAC Name: 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
• SMILES: COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)nc3sccn23)C1
• InChI: InChI=1S/C18H21N5O3S/c1-26-9-7-21-6-4-19-16(21)13-3-2-5-22(12-13)17(25)14-11-15(24)20-18-23(14)8-10-27-18/h4,6,8,10-11,13H,2-3,5,7,9,12H2,1H3/t13-/m1/s1
• InChIKey: SVFCHMRHDPFLEZ-CYBMUJFWSA-N
• XLogP: 1.62
• TPSA: 81.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.47
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?

The IUPAC name of 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 97282875) is 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

What is the SMILES notation for 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?

The canonical SMILES for 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)nc3sccn23)C1.

What is the InChIKey of 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?

The InChIKey is SVFCHMRHDPFLEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-26-9-7-21-6-4-19-16(21)13-3-2-5-22(12-13)17(25)14-11-15(24)20-18-23(14)8-10-27-18/h4,6,8,10-11,13H,2-3,5,7,9,12H2,1H3/t13-/m1/s1.

What are the key properties of 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?

5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 387.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 97282875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).