(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide

C13H13N3OS — CID 98518017

IUPAC(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCc1cscn1
InChIInChI=1S/C13H13N3OS/c17-13(4-3-11-2-1-6-14-8-11)15-7-5-12-9-18-10-16-12/h1-4,6,8-10H,5,7H2,(H,15,17)/b4-3-
InChIKeyNHLLAUSYLPSJKX-ARJAWSKDSA-N
MW259.33 g/mol
LogP1.91
Rot. Bonds5

About (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide

(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide (PubChem CID 98518017) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
PubChem CID98518017
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCc1cscn1
InChIInChI=1S/C13H13N3OS/c17-13(4-3-11-2-1-6-14-8-11)15-7-5-12-9-18-10-16-12/h1-4,6,8-10H,5,7H2,(H,15,17)/b4-3-
InChIKeyNHLLAUSYLPSJKX-ARJAWSKDSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(E)-N-[2-(2,4-dihydroxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701349
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 122263482
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388
(E)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 33159916
(E)-N-[2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 162501818
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701411

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide?
The IUPAC name of (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide (CID 98518017) is (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide is O=C(/C=C\c1cccnc1)NCCc1cscn1.
What is the InChIKey of (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide?
The InChIKey is NHLLAUSYLPSJKX-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-13(4-3-11-2-1-6-14-8-11)15-7-5-12-9-18-10-16-12/h1-4,6,8-10H,5,7H2,(H,15,17)/b4-3-.
What are the key properties of (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide?
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide has a molecular weight of 259.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 98518017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).