1-benzofuran;1,3-thiazole

C11H9NOS — CID 68965943

IUPAC1-benzofuran;1,3-thiazole
SMILESc1ccc2occc2c1.c1cscn1
InChIInChI=1S/C8H6O.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1/h1-6H;1-3H
InChIKeyIXPKZTGAOOZXPN-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.58
Rot. Bonds

About 1-benzofuran;1,3-thiazole

1-benzofuran;1,3-thiazole (PubChem CID 68965943) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-benzofuran;1,3-thiazole.

Molecular Properties

Compound Name1-benzofuran;1,3-thiazole
PubChem CID68965943
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name1-benzofuran;1,3-thiazole
SMILESc1ccc2occc2c1.c1cscn1
InChIInChI=1S/C8H6O.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1/h1-6H;1-3H
InChIKeyIXPKZTGAOOZXPN-UHFFFAOYSA-N
XLogP3.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-thiazole?
The IUPAC name of 1-benzofuran;1,3-thiazole (CID 68965943) is 1-benzofuran;1,3-thiazole.
What is the SMILES notation for 1-benzofuran;1,3-thiazole?
The canonical SMILES for 1-benzofuran;1,3-thiazole is c1ccc2occc2c1.c1cscn1.
What is the InChIKey of 1-benzofuran;1,3-thiazole?
The InChIKey is IXPKZTGAOOZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1/h1-6H;1-3H.
What are the key properties of 1-benzofuran;1,3-thiazole?
1-benzofuran;1,3-thiazole has a molecular weight of 203.27 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,3-thiazole is sourced from PubChem (CID 68965943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).