2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide

C11H9ClFN3OS — CID 107124246

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide
SMILESNC(=O)C(Nc1ccccc1F)c1ncc(Cl)s1
InChIInChI=1S/C11H9ClFN3OS/c12-8-5-15-11(18-8)9(10(14)17)16-7-4-2-1-3-6(7)13/h1-5,9,16H,(H2,14,17)
InChIKeyOCCBDDRBJUXOBB-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.57
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide

2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide (PubChem CID 107124246) has the molecular formula C11H9ClFN3OS and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide
PubChem CID107124246
Molecular FormulaC11H9ClFN3OS
Molecular Weight285.73 g/mol
Exact Mass285.01
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide
SMILESNC(=O)C(Nc1ccccc1F)c1ncc(Cl)s1
InChIInChI=1S/C11H9ClFN3OS/c12-8-5-15-11(18-8)9(10(14)17)16-7-4-2-1-3-6(7)13/h1-5,9,16H,(H2,14,17)
InChIKeyOCCBDDRBJUXOBB-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide (CID 107124246) is 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide is NC(=O)C(Nc1ccccc1F)c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide?
The InChIKey is OCCBDDRBJUXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3OS/c12-8-5-15-11(18-8)9(10(14)17)16-7-4-2-1-3-6(7)13/h1-5,9,16H,(H2,14,17).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide?
2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide has a molecular weight of 285.73 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide is sourced from PubChem (CID 107124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).