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

C10H16N2O2S — CID 96601787

IUPAC4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CCN)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)9-12-6(4-5-11)7(15-9)8(13)14/h4-5,11H2,1-3H3,(H,13,14)
InChIKeyLIPFFMCKNKUBGJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.64
Rot. Bonds3

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

4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid (PubChem CID 96601787) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
PubChem CID96601787
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CCN)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)9-12-6(4-5-11)7(15-9)8(13)14/h4-5,11H2,1-3H3,(H,13,14)
InChIKeyLIPFFMCKNKUBGJ-UHFFFAOYSA-N
XLogP1.64
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 105466261
2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358572
ethyl 2-tert-butyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 69475996
2-tert-butyl-4-[(3-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 69474569
2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359602
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 96593089
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-tert-butyl-4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69476993
2-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69476044
3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid (CID 96601787) is 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(CCN)c(C(=O)O)s1.
What is the InChIKey of 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LIPFFMCKNKUBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,3)9-12-6(4-5-11)7(15-9)8(13)14/h4-5,11H2,1-3H3,(H,13,14).
What are the key properties of 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 96601787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).