N-(1,3-thiazol-2-ylmethyl)ethanamine

C6H10N2S — CID 4777625

IUPACN-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCCNCc1nccs1
InChIInChI=1S/C6H10N2S/c1-2-7-5-6-8-3-4-9-6/h3-4,7H,2,5H2,1H3
InChIKeyICZJAGGKGHNBQO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.25
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)ethanamine

N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 4777625) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID4777625
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC NameN-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCCNCc1nccs1
InChIInChI=1S/C6H10N2S/c1-2-7-5-6-8-3-4-9-6/h3-4,7H,2,5H2,1H3
InChIKeyICZJAGGKGHNBQO-UHFFFAOYSA-N
XLogP1.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 4777625) is N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)ethanamine is CCNCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is ICZJAGGKGHNBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-7-5-6-8-3-4-9-6/h3-4,7H,2,5H2,1H3.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)ethanamine?
N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 142.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 4777625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).