4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline

C17H16FN3S — CID 89404156

IUPAC4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline
SMILESCc1cc(Cc2nc(-c3cncc(F)c3)cs2)c(C)cc1N
InChIInChI=1S/C17H16FN3S/c1-10-4-15(19)11(2)3-12(10)6-17-21-16(9-22-17)13-5-14(18)8-20-7-13/h3-5,7-9H,6,19H2,1-2H3
InChIKeyDRXDZNVSEDLNAU-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.13
Rot. Bonds3

About 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline

4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline (PubChem CID 89404156) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline
PubChem CID89404156
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline
SMILESCc1cc(Cc2nc(-c3cncc(F)c3)cs2)c(C)cc1N
InChIInChI=1S/C17H16FN3S/c1-10-4-15(19)11(2)3-12(10)6-17-21-16(9-22-17)13-5-14(18)8-20-7-13/h3-5,7-9H,6,19H2,1-2H3
InChIKeyDRXDZNVSEDLNAU-UHFFFAOYSA-N
XLogP4.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline 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 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline?
The IUPAC name of 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline (CID 89404156) is 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline?
The canonical SMILES for 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline is Cc1cc(Cc2nc(-c3cncc(F)c3)cs2)c(C)cc1N.
What is the InChIKey of 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline?
The InChIKey is DRXDZNVSEDLNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c1-10-4-15(19)11(2)3-12(10)6-17-21-16(9-22-17)13-5-14(18)8-20-7-13/h3-5,7-9H,6,19H2,1-2H3.
What are the key properties of 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline?
4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline has a molecular weight of 313.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 89404156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).