1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid

C10H12N6O3S — CID 107498296

IUPAC1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)NCCn2cnc(C(=O)O)c2)n1
InChIInChI=1S/C10H12N6O3S/c1-6-13-10(20-15-6)14-9(19)11-2-3-16-4-7(8(17)18)12-5-16/h4-5H,2-3H2,1H3,(H,17,18)(H2,11,13,14,15,19)
InChIKeyNSATVRAEXVBXFW-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.56
Rot. Bonds5

About 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid

1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107498296) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
PubChem CID107498296
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)NCCn2cnc(C(=O)O)c2)n1
InChIInChI=1S/C10H12N6O3S/c1-6-13-10(20-15-6)14-9(19)11-2-3-16-4-7(8(17)18)12-5-16/h4-5H,2-3H2,1H3,(H,17,18)(H2,11,13,14,15,19)
InChIKeyNSATVRAEXVBXFW-UHFFFAOYSA-N
XLogP0.56
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496762
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497772
1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498367
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid (CID 107498296) is 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid is Cc1nsc(NC(=O)NCCn2cnc(C(=O)O)c2)n1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is NSATVRAEXVBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-6-13-10(20-15-6)14-9(19)11-2-3-16-4-7(8(17)18)12-5-16/h4-5H,2-3H2,1H3,(H,17,18)(H2,11,13,14,15,19).
What are the key properties of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).