2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid

C14H12N2O3S — CID 51102929

IUPAC2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1ccc(/C=C/c2ncc(C(=O)O)s2)cc1
InChIInChI=1S/C14H12N2O3S/c1-9(17)16-11-5-2-10(3-6-11)4-7-13-15-8-12(20-13)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/b7-4+
InChIKeyYJMPRFQPCVIVCH-QPJJXVBHSA-N
MW288.33 g/mol
LogP2.97
Rot. Bonds4

About 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid

2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 51102929) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID51102929
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1ccc(/C=C/c2ncc(C(=O)O)s2)cc1
InChIInChI=1S/C14H12N2O3S/c1-9(17)16-11-5-2-10(3-6-11)4-7-13-15-8-12(20-13)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/b7-4+
InChIKeyYJMPRFQPCVIVCH-QPJJXVBHSA-N
XLogP2.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid (CID 51102929) is 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid is CC(=O)Nc1ccc(/C=C/c2ncc(C(=O)O)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YJMPRFQPCVIVCH-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-9(17)16-11-5-2-10(3-6-11)4-7-13-15-8-12(20-13)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/b7-4+.
What are the key properties of 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid?
2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-acetamidophenyl)ethenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 51102929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).