(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide

C12H10N2OS — CID 879707

IUPAC(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cccnc1
InChIInChI=1S/C12H10N2OS/c15-12(6-5-11-4-2-8-16-11)14-10-3-1-7-13-9-10/h1-9H,(H,14,15)/b6-5+
InChIKeyCFWANZBETGRJIN-AATRIKPKSA-N
MW230.29 g/mol
LogP2.80
Rot. Bonds3

About (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 879707) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID879707
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cccnc1
InChIInChI=1S/C12H10N2OS/c15-12(6-5-11-4-2-8-16-11)14-10-3-1-7-13-9-10/h1-9H,(H,14,15)/b6-5+
InChIKeyCFWANZBETGRJIN-AATRIKPKSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 61393043
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028

Frequently Asked Questions

What is the IUPAC name of (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide (CID 879707) is (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1cccnc1.
What is the InChIKey of (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CFWANZBETGRJIN-AATRIKPKSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12(6-5-11-4-2-8-16-11)14-10-3-1-7-13-9-10/h1-9H,(H,14,15)/b6-5+.
What are the key properties of (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 230.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).