2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C16H12FN3OS2 — CID 66488890

IUPAC2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccc(F)cc3)CC2c2cccs2)=N1
InChIInChI=1S/C16H12FN3OS2/c17-11-5-3-10(4-6-11)12-8-13(14-2-1-7-22-14)20(19-12)16-18-15(21)9-23-16/h1-7,13H,8-9H2
InChIKeyMPPRAEPXOVYXRA-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.67
Rot. Bonds2

About 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 66488890) has the molecular formula C16H12FN3OS2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID66488890
Molecular FormulaC16H12FN3OS2
Molecular Weight345.42 g/mol
Exact Mass345.04
IUPAC Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccc(F)cc3)CC2c2cccs2)=N1
InChIInChI=1S/C16H12FN3OS2/c17-11-5-3-10(4-6-11)12-8-13(14-2-1-7-22-14)20(19-12)16-18-15(21)9-23-16/h1-7,13H,8-9H2
InChIKeyMPPRAEPXOVYXRA-UHFFFAOYSA-N
XLogP3.67
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 66488890) is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is O=C1CSC(N2N=C(c3ccc(F)cc3)CC2c2cccs2)=N1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is MPPRAEPXOVYXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS2/c17-11-5-3-10(4-6-11)12-8-13(14-2-1-7-22-14)20(19-12)16-18-15(21)9-23-16/h1-7,13H,8-9H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 345.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 66488890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).