3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

C17H20N4O2S2 — CID 51140617

IUPAC3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nnc(CSc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1
InChIInChI=1S/C17H20N4O2S2/c1-9-10(2)25-15-14(9)16(22)21(12-6-4-5-7-12)17(18-15)24-8-13-20-19-11(3)23-13/h12H,4-8H2,1-3H3
InChIKeyRVECBZBQNYSDLL-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.17
Rot. Bonds4

About 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 51140617) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID51140617
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nnc(CSc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1
InChIInChI=1S/C17H20N4O2S2/c1-9-10(2)25-15-14(9)16(22)21(12-6-4-5-7-12)17(18-15)24-8-13-20-19-11(3)23-13/h12H,4-8H2,1-3H3
InChIKeyRVECBZBQNYSDLL-UHFFFAOYSA-N
XLogP4.17
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one (CID 51140617) is 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one is Cc1nnc(CSc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1.
What is the InChIKey of 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RVECBZBQNYSDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-9-10(2)25-15-14(9)16(22)21(12-6-4-5-7-12)17(18-15)24-8-13-20-19-11(3)23-13/h12H,4-8H2,1-3H3.
What are the key properties of 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 376.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 51140617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).