2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole

C15H13N3OS — CID 167879805

IUPAC2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole
SMILESCOc1ccc(-n2cc(/C=C/c3nccs3)cn2)cc1
InChIInChI=1S/C15H13N3OS/c1-19-14-5-3-13(4-6-14)18-11-12(10-17-18)2-7-15-16-8-9-20-15/h2-11H,1H3/b7-2+
InChIKeyVJDVSADPNKSMNG-FARCUNLSSA-N
MW283.36 g/mol
LogP3.51
Rot. Bonds4

About 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole

2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole (PubChem CID 167879805) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole
PubChem CID167879805
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole
SMILESCOc1ccc(-n2cc(/C=C/c3nccs3)cn2)cc1
InChIInChI=1S/C15H13N3OS/c1-19-14-5-3-13(4-6-14)18-11-12(10-17-18)2-7-15-16-8-9-20-15/h2-11H,1H3/b7-2+
InChIKeyVJDVSADPNKSMNG-FARCUNLSSA-N
XLogP3.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole?
The IUPAC name of 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole (CID 167879805) is 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole is COc1ccc(-n2cc(/C=C/c3nccs3)cn2)cc1.
What is the InChIKey of 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole?
The InChIKey is VJDVSADPNKSMNG-FARCUNLSSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-14-5-3-13(4-6-14)18-11-12(10-17-18)2-7-15-16-8-9-20-15/h2-11H,1H3/b7-2+.
What are the key properties of 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole?
2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole has a molecular weight of 283.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 167879805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).