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

C9H14N2O2S — CID 62963347

IUPAC3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
SMILESCCc1csc(NC(C)CC(=O)O)n1
InChIInChI=1S/C9H14N2O2S/c1-3-7-5-14-9(11-7)10-6(2)4-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKHBDPHBRZZFOLY-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.98
Rot. Bonds5

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

3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid (PubChem CID 62963347) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
PubChem CID62963347
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
SMILESCCc1csc(NC(C)CC(=O)O)n1
InChIInChI=1S/C9H14N2O2S/c1-3-7-5-14-9(11-7)10-6(2)4-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKHBDPHBRZZFOLY-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethyl-1,3-thiazol-2-yl)amino]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

Related Compounds

2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
CID 115691974
2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80575991
3-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486836
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
N-(1-chloro-3-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 79260231
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62963353

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid?
The IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid (CID 62963347) is 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid is CCc1csc(NC(C)CC(=O)O)n1.
What is the InChIKey of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid?
The InChIKey is KHBDPHBRZZFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7-5-14-9(11-7)10-6(2)4-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid?
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 62963347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).