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

C16H10N2OS — CID 8964164

IUPAC4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4o3)cs2)nc1
InChIInChI=1S/C16H10N2OS/c1-2-7-14-11(5-1)9-15(19-14)13-10-20-16(18-13)12-6-3-4-8-17-12/h1-10H
InChIKeyZNPFPJGZXCRRIS-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.62
Rot. Bonds2

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

4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 8964164) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID8964164
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4o3)cs2)nc1
InChIInChI=1S/C16H10N2OS/c1-2-7-14-11(5-1)9-15(19-14)13-10-20-16(18-13)12-6-3-4-8-17-12/h1-10H
InChIKeyZNPFPJGZXCRRIS-UHFFFAOYSA-N
XLogP4.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.62
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-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole (CID 8964164) is 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole is c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)nc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is ZNPFPJGZXCRRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c1-2-7-14-11(5-1)9-15(19-14)13-10-20-16(18-13)12-6-3-4-8-17-12/h1-10H.
What are the key properties of 4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 278.34 g/mol, XLogP of 4.62, 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-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 8964164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).