1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone

C11H10FN3OS — CID 4778814

IUPAC1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C11H10FN3OS/c1-6(16)9-10(13)15-11(17-9)14-8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,14,15)
InChIKeyVGTNQUOOPSHAPI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 4778814) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID4778814
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C11H10FN3OS/c1-6(16)9-10(13)15-11(17-9)14-8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,14,15)
InChIKeyVGTNQUOOPSHAPI-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
methyl 5-acetyl-2-(4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696803
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 46285742
2-[4-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]-2-methylpropanoic acid
CID 166792848
ethyl 2-[4-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]acetate
CID 166792816
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 168771303
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone (CID 4778814) is 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2ccc(F)cc2)nc1N.
What is the InChIKey of 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VGTNQUOOPSHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-6(16)9-10(13)15-11(17-9)14-8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,14,15).
What are the key properties of 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4778814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).