2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid

C14H24N2O2S — CID 112752467

IUPAC2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESCCCN(CC)c1nc(C(CC)(CC)C(=O)O)cs1
InChIInChI=1S/C14H24N2O2S/c1-5-9-16(8-4)13-15-11(10-19-13)14(6-2,7-3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyNPWGJQIPNIFIEO-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.52
Rot. Bonds8

About 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid

2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 112752467) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID112752467
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESCCCN(CC)c1nc(C(CC)(CC)C(=O)O)cs1
InChIInChI=1S/C14H24N2O2S/c1-5-9-16(8-4)13-15-11(10-19-13)14(6-2,7-3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyNPWGJQIPNIFIEO-UHFFFAOYSA-N
XLogP3.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid (CID 112752467) is 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid is CCCN(CC)c1nc(C(CC)(CC)C(=O)O)cs1.
What is the InChIKey of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is NPWGJQIPNIFIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-9-16(8-4)13-15-11(10-19-13)14(6-2,7-3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 284.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 112752467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).