2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide

C23H18N6O2S3 — CID 146269076

About 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide

2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 146269076) has the molecular formula C23H18N6O2S3 and a molecular weight of 506.64 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 146269076
• Molecular Formula: C23H18N6O2S3
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.07
• IUPAC Name: 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(-c2ccsc2)cs1
• InChI: InChI=1S/C23H18N6O2S3/c30-18(27-22-26-17(13-33-22)16-7-11-32-12-16)14-34-23-28-20-19(24-8-9-25-20)21(31)29(23)10-6-15-4-2-1-3-5-15/h1-5,7-9,11-13H,6,10,14H2,(H,26,27,30)
• InChIKey: IXHJTNHRSISOKU-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 102.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide (CID 146269076) is 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(-c2ccsc2)cs1.

What is the InChIKey of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is IXHJTNHRSISOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S3/c30-18(27-22-26-17(13-33-22)16-7-11-32-12-16)14-34-23-28-20-19(24-8-9-25-20)21(31)29(23)10-6-15-4-2-1-3-5-15/h1-5,7-9,11-13H,6,10,14H2,(H,26,27,30).

What are the key properties of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide?

2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 506.64 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(4-thiophen-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 146269076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).