2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride

C6H12Cl2N2S — CID 54592953

IUPAC2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCc1cnc(CCN)s1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-5-4-8-6(9-5)2-3-7;;/h4H,2-3,7H2,1H3;2*1H
InChIKeyANARXTPFOWOQAK-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.80
Rot. Bonds2

About 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride

2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride (PubChem CID 54592953) has the molecular formula C6H12Cl2N2S and a molecular weight of 215.15 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
PubChem CID54592953
Molecular FormulaC6H12Cl2N2S
Molecular Weight215.15 g/mol
Exact Mass214.01
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCc1cnc(CCN)s1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-5-4-8-6(9-5)2-3-7;;/h4H,2-3,7H2,1H3;2*1H
InChIKeyANARXTPFOWOQAK-UHFFFAOYSA-N
XLogP1.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride (CID 54592953) is 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride is Cc1cnc(CCN)s1.Cl.Cl.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is ANARXTPFOWOQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.2ClH/c1-5-4-8-6(9-5)2-3-7;;/h4H,2-3,7H2,1H3;2*1H.
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 215.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 54592953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).