3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

C19H17N3O3S2 — CID 35221181

IUPAC3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nc2ccsc2c1=O
InChIInChI=1S/C19H17N3O3S2/c1-3-22-18(23)16-15(8-9-26-16)21-19(22)27-11-13-10-25-17(20-13)12-4-6-14(24-2)7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyGUAAMVJLIAMYDS-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.43
Rot. Bonds6

About 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 35221181) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID35221181
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nc2ccsc2c1=O
InChIInChI=1S/C19H17N3O3S2/c1-3-22-18(23)16-15(8-9-26-16)21-19(22)27-11-13-10-25-17(20-13)12-4-6-14(24-2)7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyGUAAMVJLIAMYDS-UHFFFAOYSA-N
XLogP4.43
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
CID 3484012
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198855
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 134018264
3-ethyl-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 38663353
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567859
2-[3-(4-chlorophenoxy)propylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 55574766
3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35216898
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
CID 122159383
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 46567854
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 35221181) is 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GUAAMVJLIAMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-3-22-18(23)16-15(8-9-26-16)21-19(22)27-11-13-10-25-17(20-13)12-4-6-14(24-2)7-5-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 399.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 35221181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).