3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid

C10H12N4O2S — CID 103487974

IUPAC3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(NCc2cnc[nH]2)n1
InChIInChI=1S/C10H12N4O2S/c15-9(16)2-1-7-5-17-10(14-7)12-4-8-3-11-6-13-8/h3,5-6H,1-2,4H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyHEXQPXHMJYJQDZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.50
Rot. Bonds6

About 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid

3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103487974) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103487974
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(NCc2cnc[nH]2)n1
InChIInChI=1S/C10H12N4O2S/c15-9(16)2-1-7-5-17-10(14-7)12-4-8-3-11-6-13-8/h3,5-6H,1-2,4H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyHEXQPXHMJYJQDZ-UHFFFAOYSA-N
XLogP1.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-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-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103488416
3-[2-[2-[di(propan-2-yl)amino]ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103485907
3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488722
3-[2-[3-(methanesulfonamido)propylamino]-1,3-thiazol-4-yl]propanoic acid
CID 106331954
3-[2-[(2,4-difluorophenyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487284
3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487121
3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 106044682
3-[2-(2-cyclohexyloxyethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487674
3-[2-[(1-methylcyclopentyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487564
3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487409
3-[2-(2-methylpentan-2-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488595

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid (CID 103487974) is 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(NCc2cnc[nH]2)n1.
What is the InChIKey of 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is HEXQPXHMJYJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-9(16)2-1-7-5-17-10(14-7)12-4-8-3-11-6-13-8/h3,5-6H,1-2,4H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103487974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).