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

C12H8N2O2S2 — CID 141118044

IUPAC[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1cnc(C(=O)c2scnc2-c2ccco2)s1
InChIInChI=1S/C12H8N2O2S2/c1-7-5-13-12(18-7)10(15)11-9(14-6-17-11)8-3-2-4-16-8/h2-6H,1H3
InChIKeyLXRSKTNIBSRUQU-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.40
Rot. Bonds3

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

[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 141118044) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
PubChem CID141118044
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1cnc(C(=O)c2scnc2-c2ccco2)s1
InChIInChI=1S/C12H8N2O2S2/c1-7-5-13-12(18-7)10(15)11-9(14-6-17-11)8-3-2-4-16-8/h2-6H,1H3
InChIKeyLXRSKTNIBSRUQU-UHFFFAOYSA-N
XLogP3.40
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone (CID 141118044) is [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone is Cc1cnc(C(=O)c2scnc2-c2ccco2)s1.
What is the InChIKey of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is LXRSKTNIBSRUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c1-7-5-13-12(18-7)10(15)11-9(14-6-17-11)8-3-2-4-16-8/h2-6H,1H3.
What are the key properties of [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 141118044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).