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

C15H12N4O2S2 — CID 9334410

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(Sc2ncnc3sc(C)c(C)c23)o1
InChIInChI=1S/C15H12N4O2S2/c1-7-9(3)22-13-11(7)14(17-6-16-13)23-15-19-18-12(21-15)10-4-5-20-8(10)2/h4-6H,1-3H3
InChIKeyRXOTVEKGXYETFJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.41
Rot. Bonds3

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 9334410) 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)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID9334410
Molecular FormulaC15H12N4O2S2
Molecular Weight344.42 g/mol
Exact Mass344.04
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(Sc2ncnc3sc(C)c(C)c23)o1
InChIInChI=1S/C15H12N4O2S2/c1-7-9(3)22-13-11(7)14(17-6-16-13)23-15-19-18-12(21-15)10-4-5-20-8(10)2/h4-6H,1-3H3
InChIKeyRXOTVEKGXYETFJ-UHFFFAOYSA-N
XLogP4.41
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5,6-dimethyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 7839101
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 7887121
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
CID 54910806
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 2407835
6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416299
2-(furan-2-yl)-5-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)-1,3,4-oxadiazole
CID 9333839
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
2-(2-methylfuran-3-yl)-5-(3-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-oxadiazole
CID 133393147
4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2099930
1-(2,5-dimethylthiophen-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8944991
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 24525954

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (CID 9334410) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is Cc1occc1-c1nnc(Sc2ncnc3sc(C)c(C)c23)o1.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is RXOTVEKGXYETFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S2/c1-7-9(3)22-13-11(7)14(17-6-16-13)23-15-19-18-12(21-15)10-4-5-20-8(10)2/h4-6H,1-3H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 4.41, 3 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)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 9334410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).