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

C17H14N2OS — CID 697281

IUPAC1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H14N2OS/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)
InChIKeyFTLHZVXQCNTOQH-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.76
Rot. Bonds4

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

1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 697281) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID697281
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H14N2OS/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)
InChIKeyFTLHZVXQCNTOQH-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 697281) is 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is FTLHZVXQCNTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19).
What are the key properties of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone has a molecular weight of 294.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 697281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).