2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C16H11N4O3S2- — CID 6972409

IUPAC2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)[O-])o3)cc12
InChIInChI=1S/C16H12N4O3S2/c1-9-11-7-12(14-17-18-16(23-14)24-8-13(21)22)25-15(11)20(19-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,22)/p-1
InChIKeyJIKPDMWMLNNJQR-UHFFFAOYSA-M
MW371.42 g/mol
LogP2.29
Rot. Bonds5

About 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 6972409) has the molecular formula C16H11N4O3S2- and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Name2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID6972409
Molecular FormulaC16H11N4O3S2-
Molecular Weight371.42 g/mol
Exact Mass371.03
IUPAC Name2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)[O-])o3)cc12
InChIInChI=1S/C16H12N4O3S2/c1-9-11-7-12(14-17-18-16(23-14)24-8-13(21)22)25-15(11)20(19-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,22)/p-1
InChIKeyJIKPDMWMLNNJQR-UHFFFAOYSA-M
XLogP2.29
TPSA96.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 139217553
3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
CID 101454475
2-[[4-ethyl-5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 653859
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417567
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9484090
N-tert-butyl-2-[[4-(3,5-dimethoxyphenyl)-5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4048892
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112775054
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 6972409) is 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)[O-])o3)cc12.
What is the InChIKey of 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is JIKPDMWMLNNJQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N4O3S2/c1-9-11-7-12(14-17-18-16(23-14)24-8-13(21)22)25-15(11)20(19-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,22)/p-1.
What are the key properties of 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 371.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 6972409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).