2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

C20H17N5O2S4 — CID 24652937

IUPAC2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N3N=C(c4cccs4)CC3c3cccs3)o2)s1
InChIInChI=1S/C20H17N5O2S4/c1-11-18(31-12(2)21-11)19-22-23-20(27-19)30-10-17(26)25-14(16-6-4-8-29-16)9-13(24-25)15-5-3-7-28-15/h3-8,14H,9-10H2,1-2H3
InChIKeyVEGMGNNEMSSQEL-UHFFFAOYSA-N
MW487.66 g/mol
LogP5.40
Rot. Bonds6

About 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 24652937) has the molecular formula C20H17N5O2S4 and a molecular weight of 487.66 g/mol. Its IUPAC name is 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID24652937
Molecular FormulaC20H17N5O2S4
Molecular Weight487.66 g/mol
Exact Mass487.03
IUPAC Name2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N3N=C(c4cccs4)CC3c3cccs3)o2)s1
InChIInChI=1S/C20H17N5O2S4/c1-11-18(31-12(2)21-11)19-22-23-20(27-19)30-10-17(26)25-14(16-6-4-8-29-16)9-13(24-25)15-5-3-7-28-15/h3-8,14H,9-10H2,1-2H3
InChIKeyVEGMGNNEMSSQEL-UHFFFAOYSA-N
XLogP5.40
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.66
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone with MolForge

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Related Compounds

2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 46543158
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 41294078
1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 1234416
1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-phenylsulfanylethanone
CID 7820956
1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxyphenyl)sulfanylethanone
CID 55837279
1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 8901805
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 41138354
1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16511360
N-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 41099323
1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 40860933
4-amino-2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135925526
1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 55315361

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (CID 24652937) is 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is Cc1nc(C)c(-c2nnc(SCC(=O)N3N=C(c4cccs4)CC3c3cccs3)o2)s1.
What is the InChIKey of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is VEGMGNNEMSSQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S4/c1-11-18(31-12(2)21-11)19-22-23-20(27-19)30-10-17(26)25-14(16-6-4-8-29-16)9-13(24-25)15-5-3-7-28-15/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 487.66 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 24652937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).