2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

C12H8N2O2S — CID 82385792

IUPAC2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cc2sc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C12H8N2O2S/c15-12(16)8-6-9-10(13-8)14-11(17-9)7-4-2-1-3-5-7/h1-6,13H,(H,15,16)
InChIKeyJEDYYLWDQYMZBV-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.99
Rot. Bonds2

About 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (PubChem CID 82385792) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
PubChem CID82385792
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cc2sc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C12H8N2O2S/c15-12(16)8-6-9-10(13-8)14-11(17-9)7-4-2-1-3-5-7/h1-6,13H,(H,15,16)
InChIKeyJEDYYLWDQYMZBV-UHFFFAOYSA-N
XLogP2.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CID 82385792) is 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is O=C(O)c1cc2sc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The InChIKey is JEDYYLWDQYMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(16)8-6-9-10(13-8)14-11(17-9)7-4-2-1-3-5-7/h1-6,13H,(H,15,16).
What are the key properties of 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82385792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).