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

C14H16N2OS — CID 4749758

IUPAC1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C14H16N2OS/c1-8-5-6-12(7-9(8)2)16-14-15-10(3)13(18-14)11(4)17/h5-7H,1-4H3,(H,15,16)
InChIKeyZVUZSGNCPYAXRU-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.01
Rot. Bonds3

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

1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 4749758) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID4749758
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C14H16N2OS/c1-8-5-6-12(7-9(8)2)16-14-15-10(3)13(18-14)11(4)17/h5-7H,1-4H3,(H,15,16)
InChIKeyZVUZSGNCPYAXRU-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 4749758) is 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C.
What is the InChIKey of 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZVUZSGNCPYAXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-5-6-12(7-9(8)2)16-14-15-10(3)13(18-14)11(4)17/h5-7H,1-4H3,(H,15,16).
What are the key properties of 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4749758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).