1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

C14H16N2OS — CID 79375648

IUPAC1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCCc1ccc(Nc2snc(C)c2C(C)=O)cc1
InChIInChI=1S/C14H16N2OS/c1-4-11-5-7-12(8-6-11)15-14-13(10(3)17)9(2)16-18-14/h5-8,15H,4H2,1-3H3
InChIKeyZTHIZXOJLPYLQA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375648) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375648
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCCc1ccc(Nc2snc(C)c2C(C)=O)cc1
InChIInChI=1S/C14H16N2OS/c1-4-11-5-7-12(8-6-11)15-14-13(10(3)17)9(2)16-18-14/h5-8,15H,4H2,1-3H3
InChIKeyZTHIZXOJLPYLQA-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375648) is 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is CCc1ccc(Nc2snc(C)c2C(C)=O)cc1.
What is the InChIKey of 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is ZTHIZXOJLPYLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-11-5-7-12(8-6-11)15-14-13(10(3)17)9(2)16-18-14/h5-8,15H,4H2,1-3H3.
What are the key properties of 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).