2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole

C15H13N3OS — CID 127265232

IUPAC2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole
SMILESCC(=Cc1cnc(-c2ccc(C)o2)s1)c1cnccn1
InChIInChI=1S/C15H13N3OS/c1-10(13-9-16-5-6-17-13)7-12-8-18-15(20-12)14-4-3-11(2)19-14/h3-9H,1-2H3
InChIKeyGKGOEDQDWITNLP-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.06
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole

2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole (PubChem CID 127265232) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole
PubChem CID127265232
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole
SMILESCC(=Cc1cnc(-c2ccc(C)o2)s1)c1cnccn1
InChIInChI=1S/C15H13N3OS/c1-10(13-9-16-5-6-17-13)7-12-8-18-15(20-12)14-4-3-11(2)19-14/h3-9H,1-2H3
InChIKeyGKGOEDQDWITNLP-UHFFFAOYSA-N
XLogP4.06
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole (CID 127265232) is 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole is CC(=Cc1cnc(-c2ccc(C)o2)s1)c1cnccn1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole?
The InChIKey is GKGOEDQDWITNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10(13-9-16-5-6-17-13)7-12-8-18-15(20-12)14-4-3-11(2)19-14/h3-9H,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole?
2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole has a molecular weight of 283.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole is sourced from PubChem (CID 127265232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).