1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone

C14H16N2OS — CID 55113565

IUPAC1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCCN(c1ccc(C)cc1)c1ncc(C(C)=O)s1
InChIInChI=1S/C14H16N2OS/c1-4-16(12-7-5-10(2)6-8-12)14-15-9-13(18-14)11(3)17/h5-9H,4H2,1-3H3
InChIKeyXMNMGPOCQPHFLJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.81
Rot. Bonds4

About 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone

1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 55113565) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID55113565
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCCN(c1ccc(C)cc1)c1ncc(C(C)=O)s1
InChIInChI=1S/C14H16N2OS/c1-4-16(12-7-5-10(2)6-8-12)14-15-9-13(18-14)11(3)17/h5-9H,4H2,1-3H3
InChIKeyXMNMGPOCQPHFLJ-UHFFFAOYSA-N
XLogP3.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone (CID 55113565) is 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone is CCN(c1ccc(C)cc1)c1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is XMNMGPOCQPHFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-16(12-7-5-10(2)6-8-12)14-15-9-13(18-14)11(3)17/h5-9H,4H2,1-3H3.
What are the key properties of 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone?
1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 55113565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).