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

C7H10N2OS — CID 79007041

IUPAC1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone
SMILESCNc1snc(C)c1C(C)=O
InChIInChI=1S/C7H10N2OS/c1-4-6(5(2)10)7(8-3)11-9-4/h8H,1-3H3
InChIKeyPSQQVKKTKATYLJ-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.70
Rot. Bonds2

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

1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 79007041) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID79007041
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone
SMILESCNc1snc(C)c1C(C)=O
InChIInChI=1S/C7H10N2OS/c1-4-6(5(2)10)7(8-3)11-9-4/h8H,1-3H3
InChIKeyPSQQVKKTKATYLJ-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone (CID 79007041) is 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone is CNc1snc(C)c1C(C)=O.
What is the InChIKey of 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is PSQQVKKTKATYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-6(5(2)10)7(8-3)11-9-4/h8H,1-3H3.
What are the key properties of 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 170.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79007041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).