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

C5H7Cl3N2S — CID 135368649

IUPAC(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](CCl)c1cnc(Cl)s1
InChIInChI=1S/C5H6Cl2N2S.ClH/c6-1-3(8)4-2-9-5(7)10-4;/h2-3H,1,8H2;1H/t3-;/m1./s1
InChIKeyOQCORNKLIRPJSC-AENDTGMFSA-N
MW233.55 g/mol
LogP2.46
Rot. Bonds2

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

(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (PubChem CID 135368649) has the molecular formula C5H7Cl3N2S and a molecular weight of 233.55 g/mol. Its IUPAC name is (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
PubChem CID135368649
Molecular FormulaC5H7Cl3N2S
Molecular Weight233.55 g/mol
Exact Mass231.94
IUPAC Name(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](CCl)c1cnc(Cl)s1
InChIInChI=1S/C5H6Cl2N2S.ClH/c6-1-3(8)4-2-9-5(7)10-4;/h2-3H,1,8H2;1H/t3-;/m1./s1
InChIKeyOQCORNKLIRPJSC-AENDTGMFSA-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 (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (CID 135368649) is (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is Cl.N[C@H](CCl)c1cnc(Cl)s1.
What is the InChIKey of (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is OQCORNKLIRPJSC-AENDTGMFSA-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/t3-;/m1./s1.
What are the key properties of (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
(1S)-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 (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 135368649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).