ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate

C18H15F3N4O3S — CID 59001408

IUPACethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C18H15F3N4O3S/c1-2-28-16(27)12-13-14(22-17(29-13)23-15(26)9-3-4-9)25(24-12)11-7-5-10(6-8-11)18(19,20)21/h5-9H,2-4H2,1H3,(H,22,23,26)
InChIKeyORKKAAUXRUVFJN-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.03
Rot. Bonds5

About ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate

ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate (PubChem CID 59001408) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
PubChem CID59001408
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Nameethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C18H15F3N4O3S/c1-2-28-16(27)12-13-14(22-17(29-13)23-15(26)9-3-4-9)25(24-12)11-7-5-10(6-8-11)18(19,20)21/h5-9H,2-4H2,1H3,(H,22,23,26)
InChIKeyORKKAAUXRUVFJN-UHFFFAOYSA-N
XLogP4.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 59001289
5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 11595569
N-[4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]cyclopropanecarboxamide
CID 1026750
ethyl 4-(cyclopropanecarbonylamino)-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839249
ethyl 2-(cyclohexanecarbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561185
ethyl 1-(4-fluorophenyl)-6-oxo-4-[[4-(trifluoromethyl)benzoyl]amino]pyridazine-3-carboxylate
CID 16839561
1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 11502646
ethyl 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54547036
ethyl 3-(4-tert-butylphenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 69247408
ethyl 3-(4-methylphenyl)-4-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 4641021
ethyl 5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate
CID 59645334
ethyl 5-(3-methylbutanoylamino)-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate
CID 4275301

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate (CID 59001408) is ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate?
The InChIKey is ORKKAAUXRUVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-2-28-16(27)12-13-14(22-17(29-13)23-15(26)9-3-4-9)25(24-12)11-7-5-10(6-8-11)18(19,20)21/h5-9H,2-4H2,1H3,(H,22,23,26).
What are the key properties of ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate?
ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate has a molecular weight of 424.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 59001408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).