N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C22H19FN6OS2 — CID 38307281

IUPACN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C22H19FN6OS2/c1-13-19(32-22(27-13)14-8-10-31-12-14)21(30)26-9-2-3-18-17(11-24)20(25)29(28-18)16-6-4-15(23)5-7-16/h4-8,10,12H,2-3,9,25H2,1H3,(H,26,30)
InChIKeyJCZAFPBXRZNVRY-UHFFFAOYSA-N
MW466.57 g/mol
LogP4.32
Rot. Bonds7

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 38307281) has the molecular formula C22H19FN6OS2 and a molecular weight of 466.57 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID38307281
Molecular FormulaC22H19FN6OS2
Molecular Weight466.57 g/mol
Exact Mass466.10
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C22H19FN6OS2/c1-13-19(32-22(27-13)14-8-10-31-12-14)21(30)26-9-2-3-18-17(11-24)20(25)29(28-18)16-6-4-15(23)5-7-16/h4-8,10,12H,2-3,9,25H2,1H3,(H,26,30)
InChIKeyJCZAFPBXRZNVRY-UHFFFAOYSA-N
XLogP4.32
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55853502
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55636675
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 38307287
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-methyl-5-sulfamoylbenzamide
CID 38307243
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-methylquinoline-4-carboxamide
CID 38307462
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 39003043
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
CID 39003067
1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703377
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-methylindole-2-carboxamide
CID 55910719
3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoylamino]propanoic acid
CID 122019327
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-(dimethylamino)pyridazine-3-carboxamide
CID 56512601
N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxopropyl]-4-tert-butylbenzamide
CID 39022911

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 38307281) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JCZAFPBXRZNVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6OS2/c1-13-19(32-22(27-13)14-8-10-31-12-14)21(30)26-9-2-3-18-17(11-24)20(25)29(28-18)16-6-4-15(23)5-7-16/h4-8,10,12H,2-3,9,25H2,1H3,(H,26,30).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38307281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).