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

C7H10N2OS — CID 59806935

IUPAC1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone
SMILESCNCc1nc(C(C)=O)cs1
InChIInChI=1S/C7H10N2OS/c1-5(10)6-4-11-7(9-6)3-8-2/h4,8H,3H2,1-2H3
InChIKeyJWTWYKATVOYYIC-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.07
Rot. Bonds3

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

1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 59806935) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID59806935
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone
SMILESCNCc1nc(C(C)=O)cs1
InChIInChI=1S/C7H10N2OS/c1-5(10)6-4-11-7(9-6)3-8-2/h4,8H,3H2,1-2H3
InChIKeyJWTWYKATVOYYIC-UHFFFAOYSA-N
XLogP1.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone (CID 59806935) is 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone is CNCc1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is JWTWYKATVOYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(10)6-4-11-7(9-6)3-8-2/h4,8H,3H2,1-2H3.
What are the key properties of 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 170.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 59806935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).