1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone

C16H13N3OS — CID 58242807

IUPAC1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Nc2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C16H13N3OS/c1-11(20)15-14(12-7-9-17-10-8-12)19-16(21-15)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
InChIKeyOTGXLLPYRWZWNL-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.15
Rot. Bonds4

About 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone

1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 58242807) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
PubChem CID58242807
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Nc2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C16H13N3OS/c1-11(20)15-14(12-7-9-17-10-8-12)19-16(21-15)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
InChIKeyOTGXLLPYRWZWNL-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide
CID 5049525
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541304
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
3-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 44818114
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone (CID 58242807) is 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(Nc2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is OTGXLLPYRWZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11(20)15-14(12-7-9-17-10-8-12)19-16(21-15)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19).
What are the key properties of 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 295.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 58242807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).