2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide

C15H13N5O4S2 — CID 2211311

About 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide

2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide (PubChem CID 2211311) has the molecular formula C15H13N5O4S2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 2211311
• Molecular Formula: C15H13N5O4S2
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.04
• IUPAC Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
• SMILES: CC(=O)Nc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O
• InChI: InChI=1S/C15H13N5O4S2/c1-7(21)16-11-12(23)19-14(20-13(11)24)25-6-10(22)18-15-17-8-4-2-3-5-9(8)26-15/h2-5H,6H2,1H3,(H,16,21)(H,17,18,22)(H2,19,20,23,24)
• InChIKey: WAFKDHNYJSWOJP-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 137.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide (CID 2211311) is 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O.

What is the InChIKey of 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide?

The InChIKey is WAFKDHNYJSWOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S2/c1-7(21)16-11-12(23)19-14(20-13(11)24)25-6-10(22)18-15-17-8-4-2-3-5-9(8)26-15/h2-5H,6H2,1H3,(H,16,21)(H,17,18,22)(H2,19,20,23,24).

What are the key properties of 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide?

2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2211311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).