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

C17H15N3O2S2 — CID 66488824

IUPAC2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCOc1ccc(C2=NN(C3=NC(=O)CS3)C(c3cccs3)C2)cc1
InChIInChI=1S/C17H15N3O2S2/c1-22-12-6-4-11(5-7-12)13-9-14(15-3-2-8-23-15)20(19-13)17-18-16(21)10-24-17/h2-8,14H,9-10H2,1H3
InChIKeyLVRNKMHZTHRSCT-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.54
Rot. Bonds3

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

2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 66488824) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID66488824
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCOc1ccc(C2=NN(C3=NC(=O)CS3)C(c3cccs3)C2)cc1
InChIInChI=1S/C17H15N3O2S2/c1-22-12-6-4-11(5-7-12)13-9-14(15-3-2-8-23-15)20(19-13)17-18-16(21)10-24-17/h2-8,14H,9-10H2,1H3
InChIKeyLVRNKMHZTHRSCT-UHFFFAOYSA-N
XLogP3.54
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one with MolForge

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Related Compounds

1-[5-(3-Methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 3826900
1-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 2952694
5-(4-methoxyphenyl)-1-propionyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2958983
3-(4-methoxyphenyl)-1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3153491
2-((2-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
CID 4084302
(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903740
2-[2-[3-(4-Methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-8-methyl-pyrido[1,2-a][1,3,5]triazin-4-one
CID 18573509
(E)-3-(4-methoxybenzyl)-2-((E)-(thiophen-2-ylmethylene)hydrazono)thiazolidin-4-one
CID 6885132
2-((2-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
CID 16802855
2-((2-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
CID 18573498
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 24892705
2-[5-(4-Methoxyphenyl)-3-phenyl-2-pyrazolinyl]-1,3-thiazolin-4-one
CID 42604758

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 66488824) is 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is COc1ccc(C2=NN(C3=NC(=O)CS3)C(c3cccs3)C2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is LVRNKMHZTHRSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-22-12-6-4-11(5-7-12)13-9-14(15-3-2-8-23-15)20(19-13)17-18-16(21)10-24-17/h2-8,14H,9-10H2,1H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 357.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 66488824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).