2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole

C18H14N4OS2 — CID 9120532

IUPAC2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
SMILESCc1c(-c2ccccc2)sc2ncnc(Sc3nnc(C4CC4)o3)c12
InChIInChI=1S/C18H14N4OS2/c1-10-13-16(24-14(10)11-5-3-2-4-6-11)19-9-20-17(13)25-18-22-21-15(23-18)12-7-8-12/h2-6,9,12H,7-8H2,1H3
InChIKeyZSHSTSAWLSVQRU-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.08
Rot. Bonds4

About 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole

2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole (PubChem CID 9120532) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
PubChem CID9120532
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
SMILESCc1c(-c2ccccc2)sc2ncnc(Sc3nnc(C4CC4)o3)c12
InChIInChI=1S/C18H14N4OS2/c1-10-13-16(24-14(10)11-5-3-2-4-6-11)19-9-20-17(13)25-18-22-21-15(23-18)12-7-8-12/h2-6,9,12H,7-8H2,1H3
InChIKeyZSHSTSAWLSVQRU-UHFFFAOYSA-N
XLogP5.08
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole (CID 9120532) is 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole is Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(C4CC4)o3)c12.
What is the InChIKey of 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is ZSHSTSAWLSVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-10-13-16(24-14(10)11-5-3-2-4-6-11)19-9-20-17(13)25-18-22-21-15(23-18)12-7-8-12/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 366.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 9120532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).