1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone

C6H10N2OS — CID 10261355

IUPAC1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)C1SC(N)=NC1C
InChIInChI=1S/C6H10N2OS/c1-3-5(4(2)9)10-6(7)8-3/h3,5H,1-2H3,(H2,7,8)
InChIKeyOCJSCALREJEWMT-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.39
Rot. Bonds1

About 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone

1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone (PubChem CID 10261355) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
PubChem CID10261355
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)C1SC(N)=NC1C
InChIInChI=1S/C6H10N2OS/c1-3-5(4(2)9)10-6(7)8-3/h3,5H,1-2H3,(H2,7,8)
InChIKeyOCJSCALREJEWMT-UHFFFAOYSA-N
XLogP0.39
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone (CID 10261355) is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone is CC(=O)C1SC(N)=NC1C.
What is the InChIKey of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
The InChIKey is OCJSCALREJEWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-5(4(2)9)10-6(7)8-3/h3,5H,1-2H3,(H2,7,8).
What are the key properties of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone has a molecular weight of 158.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 10261355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).