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

C5H6Cl2N2S — CID 135368394

IUPAC(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine
SMILESN[C@H](CCl)c1cnc(Cl)s1
InChIInChI=1S/C5H6Cl2N2S/c6-1-3(8)4-2-9-5(7)10-4/h2-3H,1,8H2/t3-/m1/s1
InChIKeyGWNSBVIMHDEBJL-GSVOUGTGSA-N
MW197.09 g/mol
LogP2.04
Rot. Bonds2

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

(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine (PubChem CID 135368394) has the molecular formula C5H6Cl2N2S and a molecular weight of 197.09 g/mol. Its IUPAC name is (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine
PubChem CID135368394
Molecular FormulaC5H6Cl2N2S
Molecular Weight197.09 g/mol
Exact Mass195.96
IUPAC Name(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine
SMILESN[C@H](CCl)c1cnc(Cl)s1
InChIInChI=1S/C5H6Cl2N2S/c6-1-3(8)4-2-9-5(7)10-4/h2-3H,1,8H2/t3-/m1/s1
InChIKeyGWNSBVIMHDEBJL-GSVOUGTGSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 52.04
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?
The IUPAC name of (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine (CID 135368394) is (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine is N[C@H](CCl)c1cnc(Cl)s1.
What is the InChIKey of (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine?
The InChIKey is GWNSBVIMHDEBJL-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6Cl2N2S/c6-1-3(8)4-2-9-5(7)10-4/h2-3H,1,8H2/t3-/m1/s1.
What are the key properties of (1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine?
(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine has a molecular weight of 197.09 g/mol, XLogP of 2.04, 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 is sourced from PubChem (CID 135368394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).