2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole

C18H11N3O2S2 — CID 91496693

About 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole

2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole (PubChem CID 91496693) has the molecular formula C18H11N3O2S2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
• PubChem CID: 91496693
• Molecular Formula: C18H11N3O2S2
• Molecular Weight: 366.45 g/mol
• Exact Mass: 366.04
• IUPAC Name: 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
• SMILES: [2H]c1csc(-c2cscn2)c1-c1occc1-c1[nH]ccc1-c1ncco1
• InChI: InChI=1S/C18H11N3O2S2/c1-4-19-15(12(1)18-20-5-7-23-18)11-2-6-22-16(11)13-3-8-25-17(13)14-9-24-10-21-14/h1-10,19H/i3D
• InChIKey: DMSPCUGROLKMMJ-WFVSFCRTSA-N
• XLogP: 5.78
• TPSA: 67.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.45
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?

The IUPAC name of 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole (CID 91496693) is 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole is [2H]c1csc(-c2cscn2)c1-c1occc1-c1[nH]ccc1-c1ncco1.

What is the InChIKey of 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?

The InChIKey is DMSPCUGROLKMMJ-WFVSFCRTSA-N. The full InChI is InChI=1S/C18H11N3O2S2/c1-4-19-15(12(1)18-20-5-7-23-18)11-2-6-22-16(11)13-3-8-25-17(13)14-9-24-10-21-14/h1-10,19H/i3D.

What are the key properties of 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?

2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole has a molecular weight of 366.45 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole is sourced from PubChem (CID 91496693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).