N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

C16H15N5OS — CID 171136734

IUPACN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCn1ccnc1-c1cnccn1
InChIInChI=1S/C16H15N5OS/c22-15(4-3-13-2-1-11-23-13)19-7-9-21-10-8-20-16(21)14-12-17-5-6-18-14/h1-6,8,10-12H,7,9H2,(H,19,22)
InChIKeyUMBLXYZUVXBJOO-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 171136734) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID171136734
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCn1ccnc1-c1cnccn1
InChIInChI=1S/C16H15N5OS/c22-15(4-3-13-2-1-11-23-13)19-7-9-21-10-8-20-16(21)14-12-17-5-6-18-14/h1-6,8,10-12H,7,9H2,(H,19,22)
InChIKeyUMBLXYZUVXBJOO-UHFFFAOYSA-N
XLogP2.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-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

N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 122243762
(E)-3-(2-methylphenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102701
(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 121019927
2-phenoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propanamide
CID 122243693
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243681
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 74496936
N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 121019897
2-(2,4-difluorophenyl)-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243741
5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
CID 122243688
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130671

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 171136734) is N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCCn1ccnc1-c1cnccn1.
What is the InChIKey of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is UMBLXYZUVXBJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(4-3-13-2-1-11-23-13)19-7-9-21-10-8-20-16(21)14-12-17-5-6-18-14/h1-6,8,10-12H,7,9H2,(H,19,22).
What are the key properties of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 325.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 171136734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).