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

C10H8N2O2S — CID 13073209

IUPAC4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid
SMILESNc1c(-c2ccccc2)nsc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h1-5H,11H2,(H,13,14)
InChIKeyRFVQCWQMQWFMPC-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.09
Rot. Bonds2

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

4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid (PubChem CID 13073209) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid
PubChem CID13073209
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid
SMILESNc1c(-c2ccccc2)nsc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h1-5H,11H2,(H,13,14)
InChIKeyRFVQCWQMQWFMPC-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 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid (CID 13073209) is 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid is Nc1c(-c2ccccc2)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid?
The InChIKey is RFVQCWQMQWFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h1-5H,11H2,(H,13,14).
What are the key properties of 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid?
4-amino-3-phenyl-1,2-thiazole-5-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 4-amino-3-phenyl-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 13073209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).