3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid

C7H10N2O2S — CID 126637144

IUPAC3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid
SMILESNCc1cnc(CCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3,8H2,(H,10,11)
InChIKeyARFYQNUDBCEZQD-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.62
Rot. Bonds4

About 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid

3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 126637144) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID126637144
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid
SMILESNCc1cnc(CCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3,8H2,(H,10,11)
InChIKeyARFYQNUDBCEZQD-UHFFFAOYSA-N
XLogP0.62
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(aminomethyl)-1,3-thiazol-2-yl]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

3-[5-(Fluoromethyl)-1,3-thiazol-2-yl]propanoic acid
CID 84771011
3-[5-(Fluoromethyl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84777174
3-[5-(Difluoromethyl)-1,3-thiazol-2-yl]propanoic acid
CID 84779357
3-[5-(Difluoromethyl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84787778
2,2-Dimethyl-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]butanoic acid
CID 122127417
2-Propyl-5-thiazole-acetic acid
CID 21405583
(2S)-2-amino-3-[5-(azidomethyl)-1,3-thiazol-2-yl]propanoic acid
CID 73334745
2-Amino-2-(1,3-thiazol-5-yl)acetic acid
CID 82415780
3-(5-Methylthiazol-2-yl)propanoic acid
CID 82598401
3-(5-Methyl-1,3-thiazol-2-yl)butanoic acid
CID 82602175
3-[5-(Azidomethyl)-1,3-thiazol-2-yl]propanoic acid
CID 118017172
3-(5-Methyl-1,3-thiazol-2-yl)-2-oxopropanoic acid
CID 130880749

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid (CID 126637144) is 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid is NCc1cnc(CCC(=O)O)s1.
What is the InChIKey of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is ARFYQNUDBCEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3,8H2,(H,10,11).
What are the key properties of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid?
3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 126637144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).