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

C16H10ClFN2OS — CID 122186999

IUPAC(2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2)s1)c1ccccc1Cl
InChIInChI=1S/C16H10ClFN2OS/c17-13-4-2-1-3-12(13)15(21)14-9-19-16(22-14)20-11-7-5-10(18)6-8-11/h1-9H,(H,19,20)
InChIKeyVVGDYZAGZQTFBY-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.91
Rot. Bonds4

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

(2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone (PubChem CID 122186999) has the molecular formula C16H10ClFN2OS and a molecular weight of 332.79 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone
PubChem CID122186999
Molecular FormulaC16H10ClFN2OS
Molecular Weight332.79 g/mol
Exact Mass332.02
IUPAC Name(2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2)s1)c1ccccc1Cl
InChIInChI=1S/C16H10ClFN2OS/c17-13-4-2-1-3-12(13)15(21)14-9-19-16(22-14)20-11-7-5-10(18)6-8-11/h1-9H,(H,19,20)
InChIKeyVVGDYZAGZQTFBY-UHFFFAOYSA-N
XLogP4.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone (CID 122186999) is (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(Nc2ccc(F)cc2)s1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone?
The InChIKey is VVGDYZAGZQTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS/c17-13-4-2-1-3-12(13)15(21)14-9-19-16(22-14)20-11-7-5-10(18)6-8-11/h1-9H,(H,19,20).
What are the key properties of (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone?
(2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone has a molecular weight of 332.79 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 122186999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).