2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride

C7H12Cl2N2O2S — CID 50988315

IUPAC2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride
SMILESCc1nc(CCN)sc1C(=O)O.Cl.Cl
InChIInChI=1S/C7H10N2O2S.2ClH/c1-4-6(7(10)11)12-5(9-4)2-3-8;;/h2-3,8H2,1H3,(H,10,11);2*1H
InChIKeyYEBLYBYAKSNJHJ-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride

2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride (PubChem CID 50988315) has the molecular formula C7H12Cl2N2O2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride
PubChem CID50988315
Molecular FormulaC7H12Cl2N2O2S
Molecular Weight259.16 g/mol
Exact Mass258.00
IUPAC Name2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride
SMILESCc1nc(CCN)sc1C(=O)O.Cl.Cl
InChIInChI=1S/C7H10N2O2S.2ClH/c1-4-6(7(10)11)12-5(9-4)2-3-8;;/h2-3,8H2,1H3,(H,10,11);2*1H
InChIKeyYEBLYBYAKSNJHJ-UHFFFAOYSA-N
XLogP1.49
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride (CID 50988315) is 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride is Cc1nc(CCN)sc1C(=O)O.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The InChIKey is YEBLYBYAKSNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.2ClH/c1-4-6(7(10)11)12-5(9-4)2-3-8;;/h2-3,8H2,1H3,(H,10,11);2*1H.
What are the key properties of 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride?
2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride has a molecular weight of 259.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride is sourced from PubChem (CID 50988315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).