4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C8H11N3O3S — CID 50743414

IUPAC4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCCCNC(=O)c1nsc(C(=O)O)c1N
InChIInChI=1S/C8H11N3O3S/c1-2-3-10-7(12)5-4(9)6(8(13)14)15-11-5/h2-3,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyZFXSQXJJZMJOKY-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.56
Rot. Bonds4

About 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 50743414) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID50743414
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCCCNC(=O)c1nsc(C(=O)O)c1N
InChIInChI=1S/C8H11N3O3S/c1-2-3-10-7(12)5-4(9)6(8(13)14)15-11-5/h2-3,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyZFXSQXJJZMJOKY-UHFFFAOYSA-N
XLogP0.56
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 50743414) is 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid is CCCNC(=O)c1nsc(C(=O)O)c1N.
What is the InChIKey of 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is ZFXSQXJJZMJOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-2-3-10-7(12)5-4(9)6(8(13)14)15-11-5/h2-3,9H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(propylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 50743414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).