(1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride

C5H10Cl2N2S — CID 71758389

IUPAC(1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride
SMILESC[C@@H](N)c1cncs1.Cl.Cl
InChIInChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H/t4-;;/m1../s1
InChIKeyMGBRARVJRDYNOI-RZFWHQLPSA-N
MW201.12 g/mol
LogP2.01
Rot. Bonds1

About (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride

(1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride (PubChem CID 71758389) has the molecular formula C5H10Cl2N2S and a molecular weight of 201.12 g/mol. Its IUPAC name is (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride
PubChem CID71758389
Molecular FormulaC5H10Cl2N2S
Molecular Weight201.12 g/mol
Exact Mass199.99
IUPAC Name(1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride
SMILESC[C@@H](N)c1cncs1.Cl.Cl
InChIInChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H/t4-;;/m1../s1
InChIKeyMGBRARVJRDYNOI-RZFWHQLPSA-N
XLogP2.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride (CID 71758389) is (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride is C[C@@H](N)c1cncs1.Cl.Cl.
What is the InChIKey of (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is MGBRARVJRDYNOI-RZFWHQLPSA-N. The full InChI is InChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H/t4-;;/m1../s1.
What are the key properties of (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride?
(1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 201.12 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-thiazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 71758389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).