3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole

C15H10N4OS2 — CID 7889538

IUPAC3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1
InChIInChI=1S/C15H10N4OS2/c1-2-4-10(5-3-1)13-18-12(20-19-13)8-22-15-11-6-7-21-14(11)16-9-17-15/h1-7,9H,8H2
InChIKeyZMMRGFQWYFANEP-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.03
Rot. Bonds4

About 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole

3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 7889538) has the molecular formula C15H10N4OS2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID7889538
Molecular FormulaC15H10N4OS2
Molecular Weight326.41 g/mol
Exact Mass326.03
IUPAC Name3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1
InChIInChI=1S/C15H10N4OS2/c1-2-4-10(5-3-1)13-18-12(20-19-13)8-22-15-11-6-7-21-14(11)16-9-17-15/h1-7,9H,8H2
InChIKeyZMMRGFQWYFANEP-UHFFFAOYSA-N
XLogP4.03
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-propan-2-ylphenyl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 8522998
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742545
3-pyridin-4-yl-5-(3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropyl)-1,2,4-oxadiazole
CID 16583265
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18171412
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
3-(4-methoxyphenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 18123891
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 75380493
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 87033525
3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55551341
3-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 17426145

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 7889538) is 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole is c1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1.
What is the InChIKey of 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZMMRGFQWYFANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS2/c1-2-4-10(5-3-1)13-18-12(20-19-13)8-22-15-11-6-7-21-14(11)16-9-17-15/h1-7,9H,8H2.
What are the key properties of 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole?
3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 326.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 7889538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).