2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one

C22H17N3OS — CID 90656356

IUPAC2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccccc3)CC2c2ccc3ccccc3c2)=N1
InChIInChI=1S/C22H17N3OS/c26-21-14-27-22(23-21)25-20(13-19(24-25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,20H,13-14H2
InChIKeyBVQPQYATPTWBFE-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.62
Rot. Bonds2

About 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one

2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one (PubChem CID 90656356) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
PubChem CID90656356
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccccc3)CC2c2ccc3ccccc3c2)=N1
InChIInChI=1S/C22H17N3OS/c26-21-14-27-22(23-21)25-20(13-19(24-25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,20H,13-14H2
InChIKeyBVQPQYATPTWBFE-UHFFFAOYSA-N
XLogP4.62
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one (CID 90656356) is 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one is O=C1CSC(N2N=C(c3ccccc3)CC2c2ccc3ccccc3c2)=N1.
What is the InChIKey of 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The InChIKey is BVQPQYATPTWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21-14-27-22(23-21)25-20(13-19(24-25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,20H,13-14H2.
What are the key properties of 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one has a molecular weight of 371.47 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 90656356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).