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

C13H9NO3S — CID 141118012

IUPAC[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2scnc2-c2ccco2)o1
InChIInChI=1S/C13H9NO3S/c1-8-4-5-10(17-8)12(15)13-11(14-7-18-13)9-3-2-6-16-9/h2-7H,1H3
InChIKeyLSCVHLBSLGKZHS-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.54
Rot. Bonds3

About [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone

[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 141118012) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone
PubChem CID141118012
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2scnc2-c2ccco2)o1
InChIInChI=1S/C13H9NO3S/c1-8-4-5-10(17-8)12(15)13-11(14-7-18-13)9-3-2-6-16-9/h2-7H,1H3
InChIKeyLSCVHLBSLGKZHS-UHFFFAOYSA-N
XLogP3.54
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone (CID 141118012) is [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2scnc2-c2ccco2)o1.
What is the InChIKey of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is LSCVHLBSLGKZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-8-4-5-10(17-8)12(15)13-11(14-7-18-13)9-3-2-6-16-9/h2-7H,1H3.
What are the key properties of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone?
[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 259.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 141118012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).