5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

C11H14N4O2S — CID 79402222

IUPAC5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(C)Cn2ccnc2)c1C(=O)O
InChIInChI=1S/C11H14N4O2S/c1-7(5-15-4-3-12-6-15)13-10-9(11(16)17)8(2)14-18-10/h3-4,6-7,13H,5H2,1-2H3,(H,16,17)
InChIKeyOOFRPILHBGJLBI-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.85
Rot. Bonds5

About 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402222) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402222
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(C)Cn2ccnc2)c1C(=O)O
InChIInChI=1S/C11H14N4O2S/c1-7(5-15-4-3-12-6-15)13-10-9(11(16)17)8(2)14-18-10/h3-4,6-7,13H,5H2,1-2H3,(H,16,17)
InChIKeyOOFRPILHBGJLBI-UHFFFAOYSA-N
XLogP1.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic 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 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402222) is 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(C)Cn2ccnc2)c1C(=O)O.
What is the InChIKey of 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is OOFRPILHBGJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7(5-15-4-3-12-6-15)13-10-9(11(16)17)8(2)14-18-10/h3-4,6-7,13H,5H2,1-2H3,(H,16,17).
What are the key properties of 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 266.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).