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

C14H10N4O2S3 — CID 46644933

IUPAC3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
SMILESCn1c(SCc2noc(-c3cccs3)n2)nc2sccc2c1=O
InChIInChI=1S/C14H10N4O2S3/c1-18-13(19)8-4-6-22-12(8)16-14(18)23-7-10-15-11(20-17-10)9-3-2-5-21-9/h2-6H,7H2,1H3
InChIKeyFREZXUISXJMTKY-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.40
Rot. Bonds4

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

3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 46644933) has the molecular formula C14H10N4O2S3 and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID46644933
Molecular FormulaC14H10N4O2S3
Molecular Weight362.46 g/mol
Exact Mass362.00
IUPAC Name3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
SMILESCn1c(SCc2noc(-c3cccs3)n2)nc2sccc2c1=O
InChIInChI=1S/C14H10N4O2S3/c1-18-13(19)8-4-6-22-12(8)16-14(18)23-7-10-15-11(20-17-10)9-3-2-5-21-9/h2-6H,7H2,1H3
InChIKeyFREZXUISXJMTKY-UHFFFAOYSA-N
XLogP3.40
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

11-methyl-10-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 46645290
3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 10067157
3-butyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37325967
3-methyl-2-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 47096214
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 2495122
3-tert-butyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 37326413
3-(2,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37325451
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30173583
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 33287452
3-methyl-2-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 78764102
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 31273719

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one (CID 46644933) is 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one is Cn1c(SCc2noc(-c3cccs3)n2)nc2sccc2c1=O.
What is the InChIKey of 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FREZXUISXJMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S3/c1-18-13(19)8-4-6-22-12(8)16-14(18)23-7-10-15-11(20-17-10)9-3-2-5-21-9/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 362.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46644933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).