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

C17H15N3OS — CID 82028259

IUPAC1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3cccc(N)c3)cs2)cc1
InChIInChI=1S/C17H15N3OS/c1-11(21)12-5-7-15(8-6-12)19-17-20-16(10-22-17)13-3-2-4-14(18)9-13/h2-10H,18H2,1H3,(H,19,20)
InChIKeyCDPWXXOZGGDWPS-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.34
Rot. Bonds4

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

1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 82028259) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID82028259
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3cccc(N)c3)cs2)cc1
InChIInChI=1S/C17H15N3OS/c1-11(21)12-5-7-15(8-6-12)19-17-20-16(10-22-17)13-3-2-4-14(18)9-13/h2-10H,18H2,1H3,(H,19,20)
InChIKeyCDPWXXOZGGDWPS-UHFFFAOYSA-N
XLogP4.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl] thiocyanate
CID 82028286
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
1-[4-[[4-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564308
1-[4-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564297
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 82028259) is 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(-c3cccc(N)c3)cs2)cc1.
What is the InChIKey of 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is CDPWXXOZGGDWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11(21)12-5-7-15(8-6-12)19-17-20-16(10-22-17)13-3-2-4-14(18)9-13/h2-10H,18H2,1H3,(H,19,20).
What are the key properties of 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 309.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 82028259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).