2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole

C22H20N2OS — CID 164624483

IUPAC2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole
SMILESCc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C2=NCCS2)c1
InChIInChI=1S/C22H20N2OS/c1-15-10-18(21-4-3-8-25-21)11-16(2)20(15)6-5-17-12-19(14-23-13-17)22-24-7-9-26-22/h3-6,8,10-14H,7,9H2,1-2H3/b6-5+
InChIKeyUXURUEVPEZBPKF-AATRIKPKSA-N
MW360.48 g/mol
LogP5.62
Rot. Bonds4

About 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole

2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole (PubChem CID 164624483) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole
PubChem CID164624483
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole
SMILESCc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C2=NCCS2)c1
InChIInChI=1S/C22H20N2OS/c1-15-10-18(21-4-3-8-25-21)11-16(2)20(15)6-5-17-12-19(14-23-13-17)22-24-7-9-26-22/h3-6,8,10-14H,7,9H2,1-2H3/b6-5+
InChIKeyUXURUEVPEZBPKF-AATRIKPKSA-N
XLogP5.62
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole (CID 164624483) is 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole is Cc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C2=NCCS2)c1.
What is the InChIKey of 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is UXURUEVPEZBPKF-AATRIKPKSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-15-10-18(21-4-3-8-25-21)11-16(2)20(15)6-5-17-12-19(14-23-13-17)22-24-7-9-26-22/h3-6,8,10-14H,7,9H2,1-2H3/b6-5+.
What are the key properties of 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole?
2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 360.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 164624483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).