2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide

C14H12N2O3S — CID 175081581

IUPAC2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncsc1NC(=O)C(C=O)=Cc1ccc(O)cc1
InChIInChI=1S/C14H12N2O3S/c1-9-14(20-8-15-9)16-13(19)11(7-17)6-10-2-4-12(18)5-3-10/h2-8,18H,1H3,(H,16,19)
InChIKeyPHDUUKHEZQJGKI-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.38
Rot. Bonds4

About 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide

2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 175081581) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID175081581
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncsc1NC(=O)C(C=O)=Cc1ccc(O)cc1
InChIInChI=1S/C14H12N2O3S/c1-9-14(20-8-15-9)16-13(19)11(7-17)6-10-2-4-12(18)5-3-10/h2-8,18H,1H3,(H,16,19)
InChIKeyPHDUUKHEZQJGKI-UHFFFAOYSA-N
XLogP2.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide (CID 175081581) is 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide is Cc1ncsc1NC(=O)C(C=O)=Cc1ccc(O)cc1.
What is the InChIKey of 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is PHDUUKHEZQJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-9-14(20-8-15-9)16-13(19)11(7-17)6-10-2-4-12(18)5-3-10/h2-8,18H,1H3,(H,16,19).
What are the key properties of 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 288.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 175081581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).