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

C6H8N2OS — CID 1485905

IUPAC1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1ncc(C(C)=O)s1
InChIInChI=1S/C6H8N2OS/c1-4(9)5-3-8-6(7-2)10-5/h3H,1-2H3,(H,7,8)
InChIKeyPERJPWBBSJQZKA-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.39
Rot. Bonds2

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

1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 1485905) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID1485905
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1ncc(C(C)=O)s1
InChIInChI=1S/C6H8N2OS/c1-4(9)5-3-8-6(7-2)10-5/h3H,1-2H3,(H,7,8)
InChIKeyPERJPWBBSJQZKA-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-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone (CID 1485905) is 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone is CNc1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is PERJPWBBSJQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(9)5-3-8-6(7-2)10-5/h3H,1-2H3,(H,7,8).
What are the key properties of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
1-[2-(methylamino)-1,3-thiazol-5-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-[2-(methylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 1485905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).