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

C11H10N2OS — CID 1482536

IUPAC1-(2-anilino-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C11H10N2OS/c1-8(14)10-7-12-11(15-10)13-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)
InChIKeyDPRNJSXKUDMEOF-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.09
Rot. Bonds3

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

1-(2-anilino-1,3-thiazol-5-yl)ethanone (PubChem CID 1482536) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(2-anilino-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-anilino-1,3-thiazol-5-yl)ethanone
PubChem CID1482536
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-(2-anilino-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C11H10N2OS/c1-8(14)10-7-12-11(15-10)13-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)
InChIKeyDPRNJSXKUDMEOF-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-anilino-1,3-thiazol-5-yl)ethanone (CID 1482536) is 1-(2-anilino-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-anilino-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-anilino-1,3-thiazol-5-yl)ethanone is CC(=O)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of 1-(2-anilino-1,3-thiazol-5-yl)ethanone?
The InChIKey is DPRNJSXKUDMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8(14)10-7-12-11(15-10)13-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13).
What are the key properties of 1-(2-anilino-1,3-thiazol-5-yl)ethanone?
1-(2-anilino-1,3-thiazol-5-yl)ethanone has a molecular weight of 218.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 1482536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).