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

C17H12N2OS — CID 8964207

IUPAC4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
SMILESCc1c(-c2csc(-c3ccccn3)n2)oc2ccccc12
InChIInChI=1S/C17H12N2OS/c1-11-12-6-2-3-8-15(12)20-16(11)14-10-21-17(19-14)13-7-4-5-9-18-13/h2-10H,1H3
InChIKeyOHOMWOSQBLGZLH-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.93
Rot. Bonds2

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

4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 8964207) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID8964207
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
SMILESCc1c(-c2csc(-c3ccccn3)n2)oc2ccccc12
InChIInChI=1S/C17H12N2OS/c1-11-12-6-2-3-8-15(12)20-16(11)14-10-21-17(19-14)13-7-4-5-9-18-13/h2-10H,1H3
InChIKeyOHOMWOSQBLGZLH-UHFFFAOYSA-N
XLogP4.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole (CID 8964207) is 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole is Cc1c(-c2csc(-c3ccccn3)n2)oc2ccccc12.
What is the InChIKey of 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is OHOMWOSQBLGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-12-6-2-3-8-15(12)20-16(11)14-10-21-17(19-14)13-7-4-5-9-18-13/h2-10H,1H3.
What are the key properties of 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole?
4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 292.36 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 8964207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).