2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

C10H16N2O2S — CID 114358572

IUPAC2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(CCN)sc1C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-6(2)5-7-9(10(13)14)15-8(12-7)3-4-11/h6H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyMNGRTKZNDVBXJE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114358572) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114358572
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(CCN)sc1C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-6(2)5-7-9(10(13)14)15-8(12-7)3-4-11/h6H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyMNGRTKZNDVBXJE-UHFFFAOYSA-N
XLogP1.54
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.54
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-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (CID 114358572) is 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is CC(C)Cc1nc(CCN)sc1C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MNGRTKZNDVBXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(2)5-7-9(10(13)14)15-8(12-7)3-4-11/h6H,3-5,11H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).