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

C13H13N3OS — CID 11161257

IUPAC2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
SMILESCC1=NN(C2=NC(=O)CS2)C(c2ccccc2)C1
InChIInChI=1S/C13H13N3OS/c1-9-7-11(10-5-3-2-4-6-10)16(15-9)13-14-12(17)8-18-13/h2-6,11H,7-8H2,1H3
InChIKeyKEFICSBRXNGBIL-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.44
Rot. Bonds1

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

2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one (PubChem CID 11161257) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
PubChem CID11161257
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
SMILESCC1=NN(C2=NC(=O)CS2)C(c2ccccc2)C1
InChIInChI=1S/C13H13N3OS/c1-9-7-11(10-5-3-2-4-6-10)16(15-9)13-14-12(17)8-18-13/h2-6,11H,7-8H2,1H3
InChIKeyKEFICSBRXNGBIL-UHFFFAOYSA-N
XLogP2.44
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one (CID 11161257) is 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one is CC1=NN(C2=NC(=O)CS2)C(c2ccccc2)C1.
What is the InChIKey of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The InChIKey is KEFICSBRXNGBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-7-11(10-5-3-2-4-6-10)16(15-9)13-14-12(17)8-18-13/h2-6,11H,7-8H2,1H3.
What are the key properties of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 11161257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).