2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one

C17H12FN3O2S2 — CID 33287452

IUPAC2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCn1c(SCc2coc(-c3cccc(F)c3)n2)nc2sccc2c1=O
InChIInChI=1S/C17H12FN3O2S2/c1-21-16(22)13-5-6-24-15(13)20-17(21)25-9-12-8-23-14(19-12)10-3-2-4-11(18)7-10/h2-8H,9H2,1H3
InChIKeyPLLQNFVTWDCUAB-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.08
Rot. Bonds4

About 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one

2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 33287452) has the molecular formula C17H12FN3O2S2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID33287452
Molecular FormulaC17H12FN3O2S2
Molecular Weight373.43 g/mol
Exact Mass373.04
IUPAC Name2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCn1c(SCc2coc(-c3cccc(F)c3)n2)nc2sccc2c1=O
InChIInChI=1S/C17H12FN3O2S2/c1-21-16(22)13-5-6-24-15(13)20-17(21)25-9-12-8-23-14(19-12)10-3-2-4-11(18)7-10/h2-8H,9H2,1H3
InChIKeyPLLQNFVTWDCUAB-UHFFFAOYSA-N
XLogP4.08
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

10-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-11-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 43061101
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 25484945
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 31273719
3-methyl-2-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 47096214
3-[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide
CID 33356125
2-(3-fluorophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 33287348
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33269766
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 2495122
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593532
4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33269817
2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 33278936

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one (CID 33287452) is 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one is Cn1c(SCc2coc(-c3cccc(F)c3)n2)nc2sccc2c1=O.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is PLLQNFVTWDCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2S2/c1-21-16(22)13-5-6-24-15(13)20-17(21)25-9-12-8-23-14(19-12)10-3-2-4-11(18)7-10/h2-8H,9H2,1H3.
What are the key properties of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 373.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 33287452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).