5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

C15H11FN4O3S — CID 59001336

IUPAC5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C15H11FN4O3S/c16-8-3-5-9(6-4-8)20-12-11(10(19-20)14(22)23)24-15(17-12)18-13(21)7-1-2-7/h3-7H,1-2H2,(H,22,23)(H,17,18,21)
InChIKeyPGVPJBYDEKMNGG-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.67
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (PubChem CID 59001336) has the molecular formula C15H11FN4O3S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
PubChem CID59001336
Molecular FormulaC15H11FN4O3S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC Name5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C15H11FN4O3S/c16-8-3-5-9(6-4-8)20-12-11(10(19-20)14(22)23)24-15(17-12)18-13(21)7-1-2-7/h3-7H,1-2H2,(H,22,23)(H,17,18,21)
InChIKeyPGVPJBYDEKMNGG-UHFFFAOYSA-N
XLogP2.67
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (CID 59001336) is 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(F)cc2)c2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The InChIKey is PGVPJBYDEKMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3S/c16-8-3-5-9(6-4-8)20-12-11(10(19-20)14(22)23)24-15(17-12)18-13(21)7-1-2-7/h3-7H,1-2H2,(H,22,23)(H,17,18,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 59001336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).