2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride

C5H10Cl2N2S — CID 45480390

IUPAC2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nccs1
InChIInChI=1S/C5H8N2S.2ClH/c6-2-1-5-7-3-4-8-5;;/h3-4H,1-2,6H2;2*1H
InChIKeyOZQBWZXVRJJMHM-UHFFFAOYSA-N
MW201.12 g/mol
LogP1.49
Rot. Bonds2

About 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride

2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride (PubChem CID 45480390) has the molecular formula C5H10Cl2N2S and a molecular weight of 201.12 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride
PubChem CID45480390
Molecular FormulaC5H10Cl2N2S
Molecular Weight201.12 g/mol
Exact Mass199.99
IUPAC Name2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nccs1
InChIInChI=1S/C5H8N2S.2ClH/c6-2-1-5-7-3-4-8-5;;/h3-4H,1-2,6H2;2*1H
InChIKeyOZQBWZXVRJJMHM-UHFFFAOYSA-N
XLogP1.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride (CID 45480390) is 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is OZQBWZXVRJJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.2ClH/c6-2-1-5-7-3-4-8-5;;/h3-4H,1-2,6H2;2*1H.
What are the key properties of 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride?
2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 201.12 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 45480390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).