3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one

C15H18N4O2S2 — CID 55573916

IUPAC3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCCc1noc(C(C)Sc2nc3ccsc3c(=O)n2CC)n1
InChIInChI=1S/C15H18N4O2S2/c1-4-6-11-17-13(21-18-11)9(3)23-15-16-10-7-8-22-12(10)14(20)19(15)5-2/h7-9H,4-6H2,1-3H3
InChIKeyRUDFYAKJCGDLCR-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.67
Rot. Bonds6

About 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 55573916) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID55573916
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCCc1noc(C(C)Sc2nc3ccsc3c(=O)n2CC)n1
InChIInChI=1S/C15H18N4O2S2/c1-4-6-11-17-13(21-18-11)9(3)23-15-16-10-7-8-22-12(10)14(20)19(15)5-2/h7-9H,4-6H2,1-3H3
InChIKeyRUDFYAKJCGDLCR-UHFFFAOYSA-N
XLogP3.67
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 16234458
2-(((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)-3-isopentylthieno[3,2-d]pyrimidin-4(3H)-one
CID 27373605
3-(3-methylbutyl)-2-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373606
3-Methyl-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}methyl)sulfanyl]-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 32922821
3-benzyl-2-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373418
2-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-pentyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373462
3-(2-methylpropyl)-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373477
3-methyl-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27375021
3-(3-methylbutyl)-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27375025
3-(2-methoxyethyl)-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27375028
3-cyclopropyl-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27375032
4-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]thieno[3,2-b]pyridin-7-one
CID 72000163

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 55573916) is 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one is CCCc1noc(C(C)Sc2nc3ccsc3c(=O)n2CC)n1.
What is the InChIKey of 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RUDFYAKJCGDLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-4-6-11-17-13(21-18-11)9(3)23-15-16-10-7-8-22-12(10)14(20)19(15)5-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 350.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 55573916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).