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

C20H14N4OS — CID 139217553

IUPAC2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3nnc(-c4ccccc4)o3)cc12
InChIInChI=1S/C20H14N4OS/c1-13-16-12-17(19-22-21-18(25-19)14-8-4-2-5-9-14)26-20(16)24(23-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyIVAIKPFDASWSMQ-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.11
Rot. Bonds3

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

2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 139217553) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID139217553
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3nnc(-c4ccccc4)o3)cc12
InChIInChI=1S/C20H14N4OS/c1-13-16-12-17(19-22-21-18(25-19)14-8-4-2-5-9-14)26-20(16)24(23-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyIVAIKPFDASWSMQ-UHFFFAOYSA-N
XLogP5.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
CID 101454475
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 6972409
2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole
CID 1476773
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 50789601
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
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527319
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 166184900
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 87043423
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole (CID 139217553) is 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole is Cc1nn(-c2ccccc2)c2sc(-c3nnc(-c4ccccc4)o3)cc12.
What is the InChIKey of 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is IVAIKPFDASWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-13-16-12-17(19-22-21-18(25-19)14-8-4-2-5-9-14)26-20(16)24(23-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 358.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 139217553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).