1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C11H12N4O3S — CID 107496353

IUPAC1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1ncsc1C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H12N4O3S/c1-7-9(19-6-14-7)10(16)12-2-3-15-4-8(11(17)18)13-5-15/h4-6H,2-3H2,1H3,(H,12,16)(H,17,18)
InChIKeyRLIWNKJYHQUVKR-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496353) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496353
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1ncsc1C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H12N4O3S/c1-7-9(19-6-14-7)10(16)12-2-3-15-4-8(11(17)18)13-5-15/h4-6H,2-3H2,1H3,(H,12,16)(H,17,18)
InChIKeyRLIWNKJYHQUVKR-UHFFFAOYSA-N
XLogP0.78
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496664
1-[2-[(4-amino-3-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500519
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496633
1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496974
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
1-[2-[(2-amino-5-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500533

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107496353) is 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is Cc1ncsc1C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is RLIWNKJYHQUVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-9(19-6-14-7)10(16)12-2-3-15-4-8(11(17)18)13-5-15/h4-6H,2-3H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).