2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride

C7H14Cl2N2S — CID 50944161

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
SMILESCCc1nc(CCN)cs1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-2-7-9-6(3-4-8)5-10-7;;/h5H,2-4,8H2,1H3;2*1H
InChIKeyIXFMYOUKJFMGSD-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.05
Rot. Bonds3

About 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride

2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride (PubChem CID 50944161) has the molecular formula C7H14Cl2N2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
PubChem CID50944161
Molecular FormulaC7H14Cl2N2S
Molecular Weight229.18 g/mol
Exact Mass228.03
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
SMILESCCc1nc(CCN)cs1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-2-7-9-6(3-4-8)5-10-7;;/h5H,2-4,8H2,1H3;2*1H
InChIKeyIXFMYOUKJFMGSD-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride (CID 50944161) is 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride is CCc1nc(CCN)cs1.Cl.Cl.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is IXFMYOUKJFMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.2ClH/c1-2-7-9-6(3-4-8)5-10-7;;/h5H,2-4,8H2,1H3;2*1H.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 229.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 50944161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).