N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C14H12FN5OS2 — CID 11416792

IUPACN-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(F)nc3)n2)s1
InChIInChI=1S/C14H12FN5OS2/c1-7-12(23-14(17-7)18-8(2)21)10-6-22-13(20-10)19-9-3-4-11(15)16-5-9/h3-6H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyFYXGJMSNAUTZID-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.81
Rot. Bonds4

About N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11416792) has the molecular formula C14H12FN5OS2 and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11416792
Molecular FormulaC14H12FN5OS2
Molecular Weight349.42 g/mol
Exact Mass349.05
IUPAC NameN-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(F)nc3)n2)s1
InChIInChI=1S/C14H12FN5OS2/c1-7-12(23-14(17-7)18-8(2)21)10-6-22-13(20-10)19-9-3-4-11(15)16-5-9/h3-6H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyFYXGJMSNAUTZID-UHFFFAOYSA-N
XLogP3.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]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-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11416792) is N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(F)nc3)n2)s1.
What is the InChIKey of N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is FYXGJMSNAUTZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS2/c1-7-12(23-14(17-7)18-8(2)21)10-6-22-13(20-10)19-9-3-4-11(15)16-5-9/h3-6H,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11416792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).