4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride

C5H11Cl2N3S — CID 71685850

IUPAC4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCc1csc(N)n1
InChIInChI=1S/C5H9N3S.2ClH/c6-2-1-4-3-9-5(7)8-4;;/h3H,1-2,6H2,(H2,7,8);2*1H
InChIKeyHEGXJUJXMQAWMZ-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.07
Rot. Bonds2

About 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride

4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 71685850) has the molecular formula C5H11Cl2N3S and a molecular weight of 216.14 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID71685850
Molecular FormulaC5H11Cl2N3S
Molecular Weight216.14 g/mol
Exact Mass215.01
IUPAC Name4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCc1csc(N)n1
InChIInChI=1S/C5H9N3S.2ClH/c6-2-1-4-3-9-5(7)8-4;;/h3H,1-2,6H2,(H2,7,8);2*1H
InChIKeyHEGXJUJXMQAWMZ-UHFFFAOYSA-N
XLogP1.07
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride (CID 71685850) is 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.NCCc1csc(N)n1.
What is the InChIKey of 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is HEGXJUJXMQAWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.2ClH/c6-2-1-4-3-9-5(7)8-4;;/h3H,1-2,6H2,(H2,7,8);2*1H.
What are the key properties of 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride?
4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 216.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 71685850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).