6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H16N4O3S — CID 43415633

About 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43415633) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 43415633
• Molecular Formula: C13H16N4O3S
• Molecular Weight: 308.36 g/mol
• Exact Mass: 308.09
• IUPAC Name: 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: O=C(c1cnc2sccn2c1=O)N1CCN(CCO)CC1
• InChI: InChI=1S/C13H16N4O3S/c18-7-5-15-1-3-16(4-2-15)11(19)10-9-14-13-17(12(10)20)6-8-21-13/h6,8-9,18H,1-5,7H2
• InChIKey: WLJDHKQLVTVEMH-UHFFFAOYSA-N
• XLogP: -0.49
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.36
LogP ≤ 5	-0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43415633) is 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCN(CCO)CC1.

What is the InChIKey of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is WLJDHKQLVTVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c18-7-5-15-1-3-16(4-2-15)11(19)10-9-14-13-17(12(10)20)6-8-21-13/h6,8-9,18H,1-5,7H2.

What are the key properties of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.36 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43415633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).