4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole

C15H9NOS2 — CID 2810219

IUPAC4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C15H9NOS2/c1-2-5-12-10(4-1)8-13(17-12)11-9-19-15(16-11)14-6-3-7-18-14/h1-9H
InChIKeyJWOJJHCDUXOMQA-UHFFFAOYSA-N
MW283.38 g/mol
LogP5.28
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole

4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 2810219) has the molecular formula C15H9NOS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID2810219
Molecular FormulaC15H9NOS2
Molecular Weight283.38 g/mol
Exact Mass283.01
IUPAC Name4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C15H9NOS2/c1-2-5-12-10(4-1)8-13(17-12)11-9-19-15(16-11)14-6-3-7-18-14/h1-9H
InChIKeyJWOJJHCDUXOMQA-UHFFFAOYSA-N
XLogP5.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole (CID 2810219) is 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole is c1csc(-c2nc(-c3cc4ccccc4o3)cs2)c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is JWOJJHCDUXOMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NOS2/c1-2-5-12-10(4-1)8-13(17-12)11-9-19-15(16-11)14-6-3-7-18-14/h1-9H.
What are the key properties of 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 283.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2810219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).