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

C8H12N2OS — CID 64543005

IUPAC1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C8H12N2OS/c1-6(11)7-5-12-8(9-7)4-10(2)3/h5H,4H2,1-3H3
InChIKeyXEKHNZVGLSYIFV-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.41
Rot. Bonds3

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

1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 64543005) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID64543005
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C8H12N2OS/c1-6(11)7-5-12-8(9-7)4-10(2)3/h5H,4H2,1-3H3
InChIKeyXEKHNZVGLSYIFV-UHFFFAOYSA-N
XLogP1.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone (CID 64543005) is 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CN(C)C)n1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is XEKHNZVGLSYIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(11)7-5-12-8(9-7)4-10(2)3/h5H,4H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 184.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).