2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide

C18H16FN3OS — CID 27377714

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c19-14-8-6-13(7-9-14)11-20-17(23)10-16-12-24-18(22-16)21-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
InChIKeyFZLXBFNODVOBJK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27377714) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27377714
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c19-14-8-6-13(7-9-14)11-20-17(23)10-16-12-24-18(22-16)21-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
InChIKeyFZLXBFNODVOBJK-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 27377714) is 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FZLXBFNODVOBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-14-8-6-13(7-9-14)11-20-17(23)10-16-12-24-18(22-16)21-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,23)(H,21,22).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27377714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).