1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone

C18H16N2OS — CID 67990960

IUPAC1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16N2OS/c1-13(21)14-8-10-16(11-9-14)20(2)17-12-22-18(19-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyXZKVGIGQXILTDR-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.78
Rot. Bonds4

About 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone

1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone (PubChem CID 67990960) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone
PubChem CID67990960
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16N2OS/c1-13(21)14-8-10-16(11-9-14)20(2)17-12-22-18(19-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyXZKVGIGQXILTDR-UHFFFAOYSA-N
XLogP4.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone (CID 67990960) is 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone?
The InChIKey is XZKVGIGQXILTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13(21)14-8-10-16(11-9-14)20(2)17-12-22-18(19-17)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone?
1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone has a molecular weight of 308.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 67990960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).