1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride

C5H10Cl2N2S — CID 126807686

IUPAC1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride
SMILESCC(N)c1ccns1.Cl.Cl
InChIInChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3;2*1H
InChIKeyCTDMZTCEAVXWCT-UHFFFAOYSA-N
MW201.12 g/mol
LogP2.01
Rot. Bonds1

About 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride

1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride (PubChem CID 126807686) has the molecular formula C5H10Cl2N2S and a molecular weight of 201.12 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride
PubChem CID126807686
Molecular FormulaC5H10Cl2N2S
Molecular Weight201.12 g/mol
Exact Mass199.99
IUPAC Name1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride
SMILESCC(N)c1ccns1.Cl.Cl
InChIInChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3;2*1H
InChIKeyCTDMZTCEAVXWCT-UHFFFAOYSA-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

Analyze 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride (CID 126807686) is 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride is CC(N)c1ccns1.Cl.Cl.
What is the InChIKey of 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is CTDMZTCEAVXWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3;2*1H.
What are the key properties of 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride?
1-(1,2-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 1-(1,2-thiazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 126807686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).