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

C11H8N2O3S — CID 59291531

IUPAC2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C11H8N2O3S/c12-9(14)10-13-7(11(15)16)8(17-10)6-4-2-1-3-5-6/h1-5H,(H2,12,14)(H,15,16)
InChIKeyWDPYOYCMMCKRLW-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.61
Rot. Bonds3

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

2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 59291531) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID59291531
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C11H8N2O3S/c12-9(14)10-13-7(11(15)16)8(17-10)6-4-2-1-3-5-6/h1-5H,(H2,12,14)(H,15,16)
InChIKeyWDPYOYCMMCKRLW-UHFFFAOYSA-N
XLogP1.61
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 59291531) is 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid is NC(=O)c1nc(C(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is WDPYOYCMMCKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c12-9(14)10-13-7(11(15)16)8(17-10)6-4-2-1-3-5-6/h1-5H,(H2,12,14)(H,15,16).
What are the key properties of 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59291531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).