5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

C18H15F3N4O3S — CID 59001507

IUPAC5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(C(F)(F)F)cc2)c2nc(NC(=O)C3CCCC3)sc12
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)10-5-7-11(8-6-10)25-14-13(12(24-25)16(27)28)29-17(22-14)23-15(26)9-3-1-2-4-9/h5-9H,1-4H2,(H,27,28)(H,22,23,26)
InChIKeyWZLZNPAJGZSBQI-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.33
Rot. Bonds4

About 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (PubChem CID 59001507) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
PubChem CID59001507
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(C(F)(F)F)cc2)c2nc(NC(=O)C3CCCC3)sc12
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)10-5-7-11(8-6-10)25-14-13(12(24-25)16(27)28)29-17(22-14)23-15(26)9-3-1-2-4-9/h5-9H,1-4H2,(H,27,28)(H,22,23,26)
InChIKeyWZLZNPAJGZSBQI-UHFFFAOYSA-N
XLogP4.33
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (CID 59001507) is 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(C(F)(F)F)cc2)c2nc(NC(=O)C3CCCC3)sc12.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The InChIKey is WZLZNPAJGZSBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)10-5-7-11(8-6-10)25-14-13(12(24-25)16(27)28)29-17(22-14)23-15(26)9-3-1-2-4-9/h5-9H,1-4H2,(H,27,28)(H,22,23,26).
What are the key properties of 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid has a molecular weight of 424.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 59001507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).