4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid

C11H12N4O3S — CID 106032478

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1nc(CCNC(=O)c2nc[nH]c2C(=O)O)cs1
InChIInChI=1S/C11H12N4O3S/c1-6-15-7(4-19-6)2-3-12-10(16)8-9(11(17)18)14-5-13-8/h4-5H,2-3H2,1H3,(H,12,16)(H,13,14)(H,17,18)
InChIKeyOMALQCZEBXNZDF-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.85
Rot. Bonds5

About 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid

4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 106032478) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID106032478
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1nc(CCNC(=O)c2nc[nH]c2C(=O)O)cs1
InChIInChI=1S/C11H12N4O3S/c1-6-15-7(4-19-6)2-3-12-10(16)8-9(11(17)18)14-5-13-8/h4-5H,2-3H2,1H3,(H,12,16)(H,13,14)(H,17,18)
InChIKeyOMALQCZEBXNZDF-UHFFFAOYSA-N
XLogP0.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 106041465
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
3-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040240
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 114139537
6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106040179
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040228
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid (CID 106032478) is 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid is Cc1nc(CCNC(=O)c2nc[nH]c2C(=O)O)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is OMALQCZEBXNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6-15-7(4-19-6)2-3-12-10(16)8-9(11(17)18)14-5-13-8/h4-5H,2-3H2,1H3,(H,12,16)(H,13,14)(H,17,18).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid?
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 106032478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).