(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

C13H14N2O2S — CID 924659

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-2-10(3-6-11)4-7-12(16)15-13-14-8-9-18-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-4+
InChIKeyBYSVWOAFQJZDJV-QPJJXVBHSA-N
MW262.33 g/mol
LogP1.93
Rot. Bonds3

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 924659) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID924659
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-2-10(3-6-11)4-7-12(16)15-13-14-8-9-18-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-4+
InChIKeyBYSVWOAFQJZDJV-QPJJXVBHSA-N
XLogP1.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide (CID 924659) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC2=NCCS2)cc1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is BYSVWOAFQJZDJV-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-11-5-2-10(3-6-11)4-7-12(16)15-13-14-8-9-18-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-4+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 262.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 924659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).