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

C16H12FN3OS — CID 931219

IUPAC[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2ccccc2F)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H12FN3OS/c17-11-8-4-5-9-12(11)19-16-20-15(18)14(22-16)13(21)10-6-2-1-3-7-10/h1-9H,18H2,(H,19,20)
InChIKeyLVEOTMMIVQXKHP-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.84
Rot. Bonds4

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

[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 931219) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID931219
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2ccccc2F)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H12FN3OS/c17-11-8-4-5-9-12(11)19-16-20-15(18)14(22-16)13(21)10-6-2-1-3-7-10/h1-9H,18H2,(H,19,20)
InChIKeyLVEOTMMIVQXKHP-UHFFFAOYSA-N
XLogP3.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 931219) is [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone is Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccccc1.
What is the InChIKey of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is LVEOTMMIVQXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-8-4-5-9-12(11)19-16-20-15(18)14(22-16)13(21)10-6-2-1-3-7-10/h1-9H,18H2,(H,19,20).
What are the key properties of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 313.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 931219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).