4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid

C5H5N3O3S — CID 12553625

IUPAC4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid
SMILESNC(=O)c1nsc(C(=O)O)c1N
InChIInChI=1S/C5H5N3O3S/c6-1-2(4(7)9)8-12-3(1)5(10)11/h6H2,(H2,7,9)(H,10,11)
InChIKeyZEYBGKONYDPJKO-UHFFFAOYSA-N
MW187.18 g/mol
LogP-0.48
Rot. Bonds2

About 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid

4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid (PubChem CID 12553625) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid
PubChem CID12553625
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC Name4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid
SMILESNC(=O)c1nsc(C(=O)O)c1N
InChIInChI=1S/C5H5N3O3S/c6-1-2(4(7)9)8-12-3(1)5(10)11/h6H2,(H2,7,9)(H,10,11)
InChIKeyZEYBGKONYDPJKO-UHFFFAOYSA-N
XLogP-0.48
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid (CID 12553625) is 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid is NC(=O)c1nsc(C(=O)O)c1N.
What is the InChIKey of 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid?
The InChIKey is ZEYBGKONYDPJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c6-1-2(4(7)9)8-12-3(1)5(10)11/h6H2,(H2,7,9)(H,10,11).
What are the key properties of 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid?
4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid has a molecular weight of 187.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 12553625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).