2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole

C15H12N4O2S2 — CID 7887121

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1sc2ncnc(SCc3nnc(-c4ccco4)o3)c2c1C
InChIInChI=1S/C15H12N4O2S2/c1-8-9(2)23-15-12(8)14(16-7-17-15)22-6-11-18-19-13(21-11)10-4-3-5-20-10/h3-5,7H,6H2,1-2H3
InChIKeyVHYBQXSTSROEFB-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.24
Rot. Bonds4

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 7887121) has the molecular formula C15H12N4O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID7887121
Molecular FormulaC15H12N4O2S2
Molecular Weight344.42 g/mol
Exact Mass344.04
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1sc2ncnc(SCc3nnc(-c4ccco4)o3)c2c1C
InChIInChI=1S/C15H12N4O2S2/c1-8-9(2)23-15-12(8)14(16-7-17-15)22-6-11-18-19-13(21-11)10-4-3-5-20-10/h3-5,7H,6H2,1-2H3
InChIKeyVHYBQXSTSROEFB-UHFFFAOYSA-N
XLogP4.24
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 7889194
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301993
4-[(2,5-dimethylphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 936504
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79140871
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 9334410
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557845
N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9477896
5,6-dimethyl-4-(3-phenylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidine
CID 2963445
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408314

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 7887121) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole is Cc1sc2ncnc(SCc3nnc(-c4ccco4)o3)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is VHYBQXSTSROEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S2/c1-8-9(2)23-15-12(8)14(16-7-17-15)22-6-11-18-19-13(21-11)10-4-3-5-20-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 7887121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).