2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone

C6H8N2OS — CID 96735460

IUPAC2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone
SMILESCNCC(=O)c1ccns1
InChIInChI=1S/C6H8N2OS/c1-7-4-5(9)6-2-3-8-10-6/h2-3,7H,4H2,1H3
InChIKeyNVWUJOZGRSXRRM-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.55
Rot. Bonds3

About 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone

2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone (PubChem CID 96735460) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone
PubChem CID96735460
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone
SMILESCNCC(=O)c1ccns1
InChIInChI=1S/C6H8N2OS/c1-7-4-5(9)6-2-3-8-10-6/h2-3,7H,4H2,1H3
InChIKeyNVWUJOZGRSXRRM-UHFFFAOYSA-N
XLogP0.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone (CID 96735460) is 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone is CNCC(=O)c1ccns1.
What is the InChIKey of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone?
The InChIKey is NVWUJOZGRSXRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-7-4-5(9)6-2-3-8-10-6/h2-3,7H,4H2,1H3.
What are the key properties of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone?
2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone has a molecular weight of 156.21 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 96735460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).