2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

C16H16FN3O2S2 — CID 3239552

IUPAC2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCC1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c(=O)c2S1
InChIInChI=1S/C16H16FN3O2S2/c1-9-7-12-14(24-9)15(22)20(2)16(19-12)23-8-13(21)18-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyCQMWMZGLTAVRPP-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.69
Rot. Bonds4

About 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 3239552) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID3239552
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC Name2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCC1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c(=O)c2S1
InChIInChI=1S/C16H16FN3O2S2/c1-9-7-12-14(24-9)15(22)20(2)16(19-12)23-8-13(21)18-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyCQMWMZGLTAVRPP-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 3239552) is 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c(=O)c2S1.
What is the InChIKey of 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is CQMWMZGLTAVRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-9-7-12-14(24-9)15(22)20(2)16(19-12)23-8-13(21)18-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3239552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).