3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole

C18H12N6OS — CID 50789601

IUPAC3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3noc(-c4cnccn4)n3)cc12
InChIInChI=1S/C18H12N6OS/c1-11-13-9-15(16-21-17(25-23-16)14-10-19-7-8-20-14)26-18(13)24(22-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeySMCCAXITYIJNNM-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.90
Rot. Bonds3

About 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole

3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 50789601) has the molecular formula C18H12N6OS and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID50789601
Molecular FormulaC18H12N6OS
Molecular Weight360.40 g/mol
Exact Mass360.08
IUPAC Name3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3noc(-c4cnccn4)n3)cc12
InChIInChI=1S/C18H12N6OS/c1-11-13-9-15(16-21-17(25-23-16)14-10-19-7-8-20-14)26-18(13)24(22-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeySMCCAXITYIJNNM-UHFFFAOYSA-N
XLogP3.90
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 50789601) is 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c2sc(-c3noc(-c4cnccn4)n3)cc12.
What is the InChIKey of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is SMCCAXITYIJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6OS/c1-11-13-9-15(16-21-17(25-23-16)14-10-19-7-8-20-14)26-18(13)24(22-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 360.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50789601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).