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

C5H7Cl3N2S — CID 135346490

IUPAC2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NC(CCl)c1cnc(Cl)s1
InChIInChI=1S/C5H6Cl2N2S.ClH/c6-1-3(8)4-2-9-5(7)10-4;/h2-3H,1,8H2;1H
InChIKeyOQCORNKLIRPJSC-UHFFFAOYSA-N
MW233.55 g/mol
LogP2.46
Rot. Bonds2

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

2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (PubChem CID 135346490) has the molecular formula C5H7Cl3N2S and a molecular weight of 233.55 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
PubChem CID135346490
Molecular FormulaC5H7Cl3N2S
Molecular Weight233.55 g/mol
Exact Mass231.94
IUPAC Name2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NC(CCl)c1cnc(Cl)s1
InChIInChI=1S/C5H6Cl2N2S.ClH/c6-1-3(8)4-2-9-5(7)10-4;/h2-3H,1,8H2;1H
InChIKeyOQCORNKLIRPJSC-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (CID 135346490) is 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is Cl.NC(CCl)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is OQCORNKLIRPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2S.ClH/c6-1-3(8)4-2-9-5(7)10-4;/h2-3H,1,8H2;1H.
What are the key properties of 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 233.55 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 135346490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).