2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

C11H11N5OS2 — CID 37178860

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nnc(CSc2nc(N)c3ccsc3n2)o1
InChIInChI=1S/C11H11N5OS2/c1-2-7-15-16-8(17-7)5-19-11-13-9(12)6-3-4-18-10(6)14-11/h3-4H,2,5H2,1H3,(H2,12,13,14)
InChIKeyNHWXIGXSMHFQKK-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.51
Rot. Bonds4

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 37178860) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID37178860
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nnc(CSc2nc(N)c3ccsc3n2)o1
InChIInChI=1S/C11H11N5OS2/c1-2-7-15-16-8(17-7)5-19-11-13-9(12)6-3-4-18-10(6)14-11/h3-4H,2,5H2,1H3,(H2,12,13,14)
InChIKeyNHWXIGXSMHFQKK-UHFFFAOYSA-N
XLogP2.51
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 37178860) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nnc(CSc2nc(N)c3ccsc3n2)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NHWXIGXSMHFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c1-2-7-15-16-8(17-7)5-19-11-13-9(12)6-3-4-18-10(6)14-11/h3-4H,2,5H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 37178860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).