2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine

C6H12N2S — CID 57090105

IUPAC2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine
SMILESCN1CSC=C1CCN
InChIInChI=1S/C6H12N2S/c1-8-5-9-4-6(8)2-3-7/h4H,2-3,5,7H2,1H3
InChIKeyOTZRYMYIIMHOMF-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.81
Rot. Bonds2

About 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine

2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine (PubChem CID 57090105) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine
PubChem CID57090105
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine
SMILESCN1CSC=C1CCN
InChIInChI=1S/C6H12N2S/c1-8-5-9-4-6(8)2-3-7/h4H,2-3,5,7H2,1H3
InChIKeyOTZRYMYIIMHOMF-UHFFFAOYSA-N
XLogP0.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine (CID 57090105) is 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine is CN1CSC=C1CCN.
What is the InChIKey of 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine?
The InChIKey is OTZRYMYIIMHOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-8-5-9-4-6(8)2-3-7/h4H,2-3,5,7H2,1H3.
What are the key properties of 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine?
2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine has a molecular weight of 144.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 57090105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).