2-(2-chloro-1,3-thiazol-4-yl)ethanamine

C5H7ClN2S — CID 70439393

IUPAC2-(2-chloro-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(Cl)n1
InChIInChI=1S/C5H7ClN2S/c6-5-8-4(1-2-7)3-9-5/h3H,1-2,7H2
InChIKeyWKNCJPLJHOKYPF-UHFFFAOYSA-N
MW162.65 g/mol
LogP1.30
Rot. Bonds2

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

2-(2-chloro-1,3-thiazol-4-yl)ethanamine (PubChem CID 70439393) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-4-yl)ethanamine
PubChem CID70439393
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name2-(2-chloro-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(Cl)n1
InChIInChI=1S/C5H7ClN2S/c6-5-8-4(1-2-7)3-9-5/h3H,1-2,7H2
InChIKeyWKNCJPLJHOKYPF-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)ethanamine (CID 70439393) is 2-(2-chloro-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-4-yl)ethanamine is NCCc1csc(Cl)n1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-4-yl)ethanamine?
The InChIKey is WKNCJPLJHOKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c6-5-8-4(1-2-7)3-9-5/h3H,1-2,7H2.
What are the key properties of 2-(2-chloro-1,3-thiazol-4-yl)ethanamine?
2-(2-chloro-1,3-thiazol-4-yl)ethanamine has a molecular weight of 162.65 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 70439393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).