1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C16H20N4OS — CID 8893603

IUPAC1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2csc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4OS/c1-13(21)20-9-7-19(8-10-20)11-15-12-22-16(18-15)17-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,18)
InChIKeyJHOGTJZKZZURJE-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 8893603) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID8893603
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2csc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4OS/c1-13(21)20-9-7-19(8-10-20)11-15-12-22-16(18-15)17-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,18)
InChIKeyJHOGTJZKZZURJE-UHFFFAOYSA-N
XLogP2.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 8893603) is 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2csc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is JHOGTJZKZZURJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-13(21)20-9-7-19(8-10-20)11-15-12-22-16(18-15)17-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,18).
What are the key properties of 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 316.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 8893603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).