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

C13H14N2OS — CID 84570012

IUPAC1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCCc1csc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C13H14N2OS/c1-3-11-8-17-13(14-11)15-12-6-4-10(5-7-12)9(2)16/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyCAEAQGUVIMHFJW-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.65
Rot. Bonds4

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

1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 84570012) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID84570012
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCCc1csc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C13H14N2OS/c1-3-11-8-17-13(14-11)15-12-6-4-10(5-7-12)9(2)16/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyCAEAQGUVIMHFJW-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-ethyl-1,3-thiazol-2-amine
CID 22347320
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
CID 62963351
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 82028259
1-[4-[[4-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564308
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 84570012) is 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone is CCc1csc(Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is CAEAQGUVIMHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-11-8-17-13(14-11)15-12-6-4-10(5-7-12)9(2)16/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone has a molecular weight of 246.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 84570012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).