1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone

C6H8N2OS — CID 67967921

IUPAC1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CN)n1
InChIInChI=1S/C6H8N2OS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2,7H2,1H3
InChIKeyCNJFHGYGOBIRRY-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.80
Rot. Bonds2

About 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone

1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 67967921) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID67967921
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CN)n1
InChIInChI=1S/C6H8N2OS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2,7H2,1H3
InChIKeyCNJFHGYGOBIRRY-UHFFFAOYSA-N
XLogP0.80
TPSA55.98 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone (CID 67967921) is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CN)n1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is CNJFHGYGOBIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2,7H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 156.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 67967921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).