2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C16H13N3O2S — CID 59179968

IUPAC2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(C3=CCCC3)c3ccccc32)n1
InChIInChI=1S/C16H13N3O2S/c20-15(21)12-9-22-16(17-12)19-13-8-4-3-7-11(13)14(18-19)10-5-1-2-6-10/h3-5,7-9H,1-2,6H2,(H,20,21)
InChIKeyQCZYGYYAQNKZOB-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.75
Rot. Bonds3

About 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179968) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179968
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(C3=CCCC3)c3ccccc32)n1
InChIInChI=1S/C16H13N3O2S/c20-15(21)12-9-22-16(17-12)19-13-8-4-3-7-11(13)14(18-19)10-5-1-2-6-10/h3-5,7-9H,1-2,6H2,(H,20,21)
InChIKeyQCZYGYYAQNKZOB-UHFFFAOYSA-N
XLogP3.75
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179968) is 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(C3=CCCC3)c3ccccc32)n1.
What is the InChIKey of 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QCZYGYYAQNKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(21)12-9-22-16(17-12)19-13-8-4-3-7-11(13)14(18-19)10-5-1-2-6-10/h3-5,7-9H,1-2,6H2,(H,20,21).
What are the key properties of 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 311.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).