(E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

C18H17N3OS2 — CID 110305236

IUPAC(E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H17N3OS2/c1-13(11-16-3-2-10-23-16)17(22)20-9-6-15-12-24-18(21-15)14-4-7-19-8-5-14/h2-5,7-8,10-12H,6,9H2,1H3,(H,20,22)/b13-11+
InChIKeyMEEUBCHDCRNQST-ACCUITESSA-N
MW355.49 g/mol
LogP4.03
Rot. Bonds6

About (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 110305236) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID110305236
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name(E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H17N3OS2/c1-13(11-16-3-2-10-23-16)17(22)20-9-6-15-12-24-18(21-15)14-4-7-19-8-5-14/h2-5,7-8,10-12H,6,9H2,1H3,(H,20,22)/b13-11+
InChIKeyMEEUBCHDCRNQST-ACCUITESSA-N
XLogP4.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-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

(E)-3-(2-fluorophenyl)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 110305238
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110305211
(E)-3-(4-methoxyphenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]but-2-enamide
CID 110305222
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 110305236) is (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is C/C(=C\c1cccs1)C(=O)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MEEUBCHDCRNQST-ACCUITESSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-13(11-16-3-2-10-23-16)17(22)20-9-6-15-12-24-18(21-15)14-4-7-19-8-5-14/h2-5,7-8,10-12H,6,9H2,1H3,(H,20,22)/b13-11+.
What are the key properties of (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 355.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110305236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).