3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

C17H15N3O2S3 — CID 35216898

IUPAC3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCc2nc(-c3cccs3)oc2C)nc2ccsc2c1=O
InChIInChI=1S/C17H15N3O2S3/c1-3-20-16(21)14-11(6-8-24-14)19-17(20)25-9-12-10(2)22-15(18-12)13-5-4-7-23-13/h4-8H,3,9H2,1-2H3
InChIKeyWVKFAWZKKMAUMY-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.80
Rot. Bonds5

About 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 35216898) has the molecular formula C17H15N3O2S3 and a molecular weight of 389.53 g/mol. Its IUPAC name is 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID35216898
Molecular FormulaC17H15N3O2S3
Molecular Weight389.53 g/mol
Exact Mass389.03
IUPAC Name3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCc2nc(-c3cccs3)oc2C)nc2ccsc2c1=O
InChIInChI=1S/C17H15N3O2S3/c1-3-20-16(21)14-11(6-8-24-14)19-17(20)25-9-12-10(2)22-15(18-12)13-5-4-7-23-13/h4-8H,3,9H2,1-2H3
InChIKeyWVKFAWZKKMAUMY-UHFFFAOYSA-N
XLogP4.80
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
CID 3484012
3-ethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 46297490
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567859
4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 18168214
4-(3-methoxypropyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 36776622
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 31903440
3-ethyl-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 38663353
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
CID 46297641
3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35221181
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
CID 104590545
1-[2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 38663357
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 35216898) is 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is CCn1c(SCc2nc(-c3cccs3)oc2C)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WVKFAWZKKMAUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S3/c1-3-20-16(21)14-11(6-8-24-14)19-17(20)25-9-12-10(2)22-15(18-12)13-5-4-7-23-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 389.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 35216898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).