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

C16H11F2N3OS — CID 1400877

IUPAC[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F2N3OS/c17-10-3-1-9(2-4-10)13(22)14-15(19)21-16(23-14)20-12-7-5-11(18)6-8-12/h1-8H,19H2,(H,20,21)
InChIKeyAMJYXOVANRJRNX-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.98
Rot. Bonds4

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

[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 1400877) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
PubChem CID1400877
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F2N3OS/c17-10-3-1-9(2-4-10)13(22)14-15(19)21-16(23-14)20-12-7-5-11(18)6-8-12/h1-8H,19H2,(H,20,21)
InChIKeyAMJYXOVANRJRNX-UHFFFAOYSA-N
XLogP3.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone (CID 1400877) is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone is Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is AMJYXOVANRJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-10-3-1-9(2-4-10)13(22)14-15(19)21-16(23-14)20-12-7-5-11(18)6-8-12/h1-8H,19H2,(H,20,21).
What are the key properties of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 331.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1400877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).