N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide

C17H14FN3O2S — CID 24832008

IUPACN-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(F)c3)cs2)c1
InChIInChI=1S/C17H14FN3O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyBUGVUVMZGNNHCL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.53
Rot. Bonds5

About N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide

N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 24832008) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID24832008
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(F)c3)cs2)c1
InChIInChI=1S/C17H14FN3O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyBUGVUVMZGNNHCL-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide 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 N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (CID 24832008) is N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2nc(-c3ccnc(F)c3)cs2)c1.
What is the InChIKey of N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is BUGVUVMZGNNHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 24832008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).