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

C12H20N2O2S — CID 61009223

IUPAC3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
SMILESCCCc1nc(CN(CC)CCC(=O)O)cs1
InChIInChI=1S/C12H20N2O2S/c1-3-5-11-13-10(9-17-11)8-14(4-2)7-6-12(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyYZDRWKOSDHBDHE-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.39
Rot. Bonds8

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

3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid (PubChem CID 61009223) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
PubChem CID61009223
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
SMILESCCCc1nc(CN(CC)CCC(=O)O)cs1
InChIInChI=1S/C12H20N2O2S/c1-3-5-11-13-10(9-17-11)8-14(4-2)7-6-12(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyYZDRWKOSDHBDHE-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic 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-[prop-2-enyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 79275716
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 62015413
methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate
CID 62026044
N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62423693
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113339721
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid (CID 61009223) is 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid is CCCc1nc(CN(CC)CCC(=O)O)cs1.
What is the InChIKey of 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid?
The InChIKey is YZDRWKOSDHBDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-5-11-13-10(9-17-11)8-14(4-2)7-6-12(15)16/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid?
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid has a molecular weight of 256.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 61009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).