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

C6H8N2OS — CID 54522209

IUPAC1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone
SMILESCNc1scnc1C(C)=O
InChIInChI=1S/C6H8N2OS/c1-4(9)5-6(7-2)10-3-8-5/h3,7H,1-2H3
InChIKeyYQPGSWVJHOCQLN-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.39
Rot. Bonds2

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

1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone (PubChem CID 54522209) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone
PubChem CID54522209
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone
SMILESCNc1scnc1C(C)=O
InChIInChI=1S/C6H8N2OS/c1-4(9)5-6(7-2)10-3-8-5/h3,7H,1-2H3
InChIKeyYQPGSWVJHOCQLN-UHFFFAOYSA-N
XLogP1.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone (CID 54522209) is 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone is CNc1scnc1C(C)=O.
What is the InChIKey of 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is YQPGSWVJHOCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(9)5-6(7-2)10-3-8-5/h3,7H,1-2H3.
What are the key properties of 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone?
1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 156.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 54522209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).