furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone

C12H7NO3S — CID 70373391

IUPACfuran-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone
SMILESO=C(c1ccco1)c1ccc(-c2nccs2)o1
InChIInChI=1S/C12H7NO3S/c14-11(8-2-1-6-15-8)9-3-4-10(16-9)12-13-5-7-17-12/h1-7H
InChIKeyACLVZJUWAZRTIS-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.23
Rot. Bonds3

About furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone

furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone (PubChem CID 70373391) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone
PubChem CID70373391
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Namefuran-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone
SMILESO=C(c1ccco1)c1ccc(-c2nccs2)o1
InChIInChI=1S/C12H7NO3S/c14-11(8-2-1-6-15-8)9-3-4-10(16-9)12-13-5-7-17-12/h1-7H
InChIKeyACLVZJUWAZRTIS-UHFFFAOYSA-N
XLogP3.23
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone?
The IUPAC name of furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone (CID 70373391) is furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone?
The canonical SMILES for furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone is O=C(c1ccco1)c1ccc(-c2nccs2)o1.
What is the InChIKey of furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone?
The InChIKey is ACLVZJUWAZRTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S/c14-11(8-2-1-6-15-8)9-3-4-10(16-9)12-13-5-7-17-12/h1-7H.
What are the key properties of furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone?
furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone has a molecular weight of 245.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-(1,3-thiazol-2-yl)furan-2-yl]methanone is sourced from PubChem (CID 70373391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).