2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole

C13H9N3OS — CID 122133547

IUPAC2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole
SMILESC(=C/c1cnc(-c2ccco2)s1)\c1ccncn1
InChIInChI=1S/C13H9N3OS/c1-2-12(17-7-1)13-15-8-11(18-13)4-3-10-5-6-14-9-16-10/h1-9H/b4-3+
InChIKeyRRDFQKSMPAPFEV-ONEGZZNKSA-N
MW255.30 g/mol
LogP3.36
Rot. Bonds3

About 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole

2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole (PubChem CID 122133547) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole
PubChem CID122133547
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole
SMILESC(=C/c1cnc(-c2ccco2)s1)\c1ccncn1
InChIInChI=1S/C13H9N3OS/c1-2-12(17-7-1)13-15-8-11(18-13)4-3-10-5-6-14-9-16-10/h1-9H/b4-3+
InChIKeyRRDFQKSMPAPFEV-ONEGZZNKSA-N
XLogP3.36
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole (CID 122133547) is 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole is C(=C/c1cnc(-c2ccco2)s1)\c1ccncn1.
What is the InChIKey of 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole?
The InChIKey is RRDFQKSMPAPFEV-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H9N3OS/c1-2-12(17-7-1)13-15-8-11(18-13)4-3-10-5-6-14-9-16-10/h1-9H/b4-3+.
What are the key properties of 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole?
2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole has a molecular weight of 255.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazole is sourced from PubChem (CID 122133547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).