1-(5-chloro-1,3-thiazol-2-yl)ethanamine

C5H7ClN2S — CID 66224103

IUPAC1-(5-chloro-1,3-thiazol-2-yl)ethanamine
SMILESCC(N)c1ncc(Cl)s1
InChIInChI=1S/C5H7ClN2S/c1-3(7)5-8-2-4(6)9-5/h2-3H,7H2,1H3
InChIKeyIKCZECQCSFJWHM-UHFFFAOYSA-N
MW162.65 g/mol
LogP1.82
Rot. Bonds1

About 1-(5-chloro-1,3-thiazol-2-yl)ethanamine

1-(5-chloro-1,3-thiazol-2-yl)ethanamine (PubChem CID 66224103) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)ethanamine
PubChem CID66224103
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)ethanamine
SMILESCC(N)c1ncc(Cl)s1
InChIInChI=1S/C5H7ClN2S/c1-3(7)5-8-2-4(6)9-5/h2-3H,7H2,1H3
InChIKeyIKCZECQCSFJWHM-UHFFFAOYSA-N
XLogP1.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)ethanamine (CID 66224103) is 1-(5-chloro-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)ethanamine is CC(N)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)ethanamine?
The InChIKey is IKCZECQCSFJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c1-3(7)5-8-2-4(6)9-5/h2-3H,7H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)ethanamine?
1-(5-chloro-1,3-thiazol-2-yl)ethanamine has a molecular weight of 162.65 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 66224103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).