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

C10H8N2O2S — CID 18322993

IUPAC2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C10H8N2O2S/c11-10-12-7(9(13)14)8(15-10)6-4-2-1-3-5-6/h1-5H,(H2,11,12)(H,13,14)
InChIKeyVTYHQGNZJJXPBE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.09
Rot. Bonds2

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

2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 18322993) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID18322993
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C10H8N2O2S/c11-10-12-7(9(13)14)8(15-10)6-4-2-1-3-5-6/h1-5H,(H2,11,12)(H,13,14)
InChIKeyVTYHQGNZJJXPBE-UHFFFAOYSA-N
XLogP2.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 18322993) is 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is VTYHQGNZJJXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-12-7(9(13)14)8(15-10)6-4-2-1-3-5-6/h1-5H,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 18322993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).