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

C17H15N3OS — CID 51003700

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccnc2)cc1)NC1=NCCS1
InChIInChI=1S/C17H15N3OS/c21-16(20-17-19-10-11-22-17)8-5-13-3-6-14(7-4-13)15-2-1-9-18-12-15/h1-9,12H,10-11H2,(H,19,20,21)/b8-5+
InChIKeyGUSKYVDIWDELBR-VMPITWQZSA-N
MW309.39 g/mol
LogP2.98
Rot. Bonds3

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

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide (PubChem CID 51003700) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide
PubChem CID51003700
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccnc2)cc1)NC1=NCCS1
InChIInChI=1S/C17H15N3OS/c21-16(20-17-19-10-11-22-17)8-5-13-3-6-14(7-4-13)15-2-1-9-18-12-15/h1-9,12H,10-11H2,(H,19,20,21)/b8-5+
InChIKeyGUSKYVDIWDELBR-VMPITWQZSA-N
XLogP2.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.98
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-pyridin-3-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide (CID 51003700) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(-c2cccnc2)cc1)NC1=NCCS1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide?
The InChIKey is GUSKYVDIWDELBR-VMPITWQZSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(20-17-19-10-11-22-17)8-5-13-3-6-14(7-4-13)15-2-1-9-18-12-15/h1-9,12H,10-11H2,(H,19,20,21)/b8-5+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-pyridin-3-ylphenyl)prop-2-enamide has a molecular weight of 309.39 g/mol, XLogP of 2.98, 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-pyridin-3-ylphenyl)prop-2-enamide is sourced from PubChem (CID 51003700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).