2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide

C18H19F2N3O2S — CID 166405299

IUPAC2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide
SMILESC=CC(=O)NCCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C18H19F2N3O2S/c1-4-15(24)21-7-8-22-17(25)18(2,3)14-10-26-16(23-14)12-9-11(19)5-6-13(12)20/h4-6,9-10H,1,7-8H2,2-3H3,(H,21,24)(H,22,25)
InChIKeyPYAYBULWZKOESD-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.78
Rot. Bonds7

About 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide

2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide (PubChem CID 166405299) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide
PubChem CID166405299
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide
SMILESC=CC(=O)NCCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C18H19F2N3O2S/c1-4-15(24)21-7-8-22-17(25)18(2,3)14-10-26-16(23-14)12-9-11(19)5-6-13(12)20/h4-6,9-10H,1,7-8H2,2-3H3,(H,21,24)(H,22,25)
InChIKeyPYAYBULWZKOESD-UHFFFAOYSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide (CID 166405299) is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide is C=CC(=O)NCCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide?
The InChIKey is PYAYBULWZKOESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-4-15(24)21-7-8-22-17(25)18(2,3)14-10-26-16(23-14)12-9-11(19)5-6-13(12)20/h4-6,9-10H,1,7-8H2,2-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide?
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide has a molecular weight of 379.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[2-(prop-2-enoylamino)ethyl]propanamide is sourced from PubChem (CID 166405299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).