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

C16H11F2N3OS — CID 24830408

IUPAC2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1nc(-c2ccnc(F)c2)cs1
InChIInChI=1S/C16H11F2N3OS/c17-12-4-2-1-3-10(12)8-15(22)21-16-20-13(9-23-16)11-5-6-19-14(18)7-11/h1-7,9H,8H2,(H,20,21,22)
InChIKeyNLVGPTZAAUCTJS-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.66
Rot. Bonds4

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

2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24830408) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
PubChem CID24830408
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1nc(-c2ccnc(F)c2)cs1
InChIInChI=1S/C16H11F2N3OS/c17-12-4-2-1-3-10(12)8-15(22)21-16-20-13(9-23-16)11-5-6-19-14(18)7-11/h1-7,9H,8H2,(H,20,21,22)
InChIKeyNLVGPTZAAUCTJS-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide (CID 24830408) is 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccccc1F)Nc1nc(-c2ccnc(F)c2)cs1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NLVGPTZAAUCTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-12-4-2-1-3-10(12)8-15(22)21-16-20-13(9-23-16)11-5-6-19-14(18)7-11/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).