N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide

C19H16N2O2S — CID 166628879

IUPACN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(/C=C/c2ccccc2NC(=O)c2nccs2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)21-18(22)19-20-12-13-24-19/h2-13H,1H3,(H,21,22)/b9-6+
InChIKeyNPLZJDBDKRJJGR-RMKNXTFCSA-N
MW336.42 g/mol
LogP4.57
Rot. Bonds5

About N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide

N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 166628879) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID166628879
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(/C=C/c2ccccc2NC(=O)c2nccs2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)21-18(22)19-20-12-13-24-19/h2-13H,1H3,(H,21,22)/b9-6+
InChIKeyNPLZJDBDKRJJGR-RMKNXTFCSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide (CID 166628879) is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide is COc1ccc(/C=C/c2ccccc2NC(=O)c2nccs2)cc1.
What is the InChIKey of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NPLZJDBDKRJJGR-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)21-18(22)19-20-12-13-24-19/h2-13H,1H3,(H,21,22)/b9-6+.
What are the key properties of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide?
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 166628879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).