2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid

C5H6N2O3S — CID 91387485

IUPAC2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid
SMILESNC(=O)C1SC=CN1C(=O)O
InChIInChI=1S/C5H6N2O3S/c6-3(8)4-7(5(9)10)1-2-11-4/h1-2,4H,(H2,6,8)(H,9,10)
InChIKeyRXEPILZUXRZNAU-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.00
Rot. Bonds1

About 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid

2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid (PubChem CID 91387485) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid
PubChem CID91387485
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid
SMILESNC(=O)C1SC=CN1C(=O)O
InChIInChI=1S/C5H6N2O3S/c6-3(8)4-7(5(9)10)1-2-11-4/h1-2,4H,(H2,6,8)(H,9,10)
InChIKeyRXEPILZUXRZNAU-UHFFFAOYSA-N
XLogP-0.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid?
The IUPAC name of 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid (CID 91387485) is 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid is NC(=O)C1SC=CN1C(=O)O.
What is the InChIKey of 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid?
The InChIKey is RXEPILZUXRZNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-3(8)4-7(5(9)10)1-2-11-4/h1-2,4H,(H2,6,8)(H,9,10).
What are the key properties of 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid?
2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid has a molecular weight of 174.18 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-2H-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 91387485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).