2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C18H14ClN3OS — CID 57396640

IUPAC2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H14ClN3OS/c19-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-22(16)18-20-17(23)11-24-18/h1-9,16H,10-11H2
InChIKeySDGNMBQUZIXYSU-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.12
Rot. Bonds2

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

2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 57396640) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID57396640
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H14ClN3OS/c19-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-22(16)18-20-17(23)11-24-18/h1-9,16H,10-11H2
InChIKeySDGNMBQUZIXYSU-UHFFFAOYSA-N
XLogP4.12
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 57396640) is 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is O=C1CSC(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is SDGNMBQUZIXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-22(16)18-20-17(23)11-24-18/h1-9,16H,10-11H2.
What are the key properties of 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 355.85 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 57396640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).