2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole

C19H12N4O2S2 — CID 26452413

IUPAC2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole
SMILESCc1nc(Oc2ccc(-c3nnco3)cc2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H12N4O2S2/c1-11-21-18(16-14(9-27-19(16)22-11)15-3-2-8-26-15)25-13-6-4-12(5-7-13)17-23-20-10-24-17/h2-10H,1H3
InChIKeyKPTVGUYDRCPDFC-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.57
Rot. Bonds4

About 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole

2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole (PubChem CID 26452413) has the molecular formula C19H12N4O2S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole
PubChem CID26452413
Molecular FormulaC19H12N4O2S2
Molecular Weight392.47 g/mol
Exact Mass392.04
IUPAC Name2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole
SMILESCc1nc(Oc2ccc(-c3nnco3)cc2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H12N4O2S2/c1-11-21-18(16-14(9-27-19(16)22-11)15-3-2-8-26-15)25-13-6-4-12(5-7-13)17-23-20-10-24-17/h2-10H,1H3
InChIKeyKPTVGUYDRCPDFC-UHFFFAOYSA-N
XLogP5.57
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole (CID 26452413) is 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole is Cc1nc(Oc2ccc(-c3nnco3)cc2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole?
The InChIKey is KPTVGUYDRCPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S2/c1-11-21-18(16-14(9-27-19(16)22-11)15-3-2-8-26-15)25-13-6-4-12(5-7-13)17-23-20-10-24-17/h2-10H,1H3.
What are the key properties of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole?
2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole has a molecular weight of 392.47 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 26452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).