2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide

C12H12FN3OS — CID 64991246

IUPAC2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide
SMILESCC(Nc1ccc(F)cc1)(C(N)=O)c1nccs1
InChIInChI=1S/C12H12FN3OS/c1-12(10(14)17,11-15-6-7-18-11)16-9-4-2-8(13)3-5-9/h2-7,16H,1H3,(H2,14,17)
InChIKeyLXZKUENCMYGSOA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide

2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide (PubChem CID 64991246) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide
PubChem CID64991246
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide
SMILESCC(Nc1ccc(F)cc1)(C(N)=O)c1nccs1
InChIInChI=1S/C12H12FN3OS/c1-12(10(14)17,11-15-6-7-18-11)16-9-4-2-8(13)3-5-9/h2-7,16H,1H3,(H2,14,17)
InChIKeyLXZKUENCMYGSOA-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide (CID 64991246) is 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide is CC(Nc1ccc(F)cc1)(C(N)=O)c1nccs1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LXZKUENCMYGSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-12(10(14)17,11-15-6-7-18-11)16-9-4-2-8(13)3-5-9/h2-7,16H,1H3,(H2,14,17).
What are the key properties of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide?
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 64991246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).