4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide

C14H10FN3O2S — CID 116620744

IUPAC4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(Cn2cnc3ccsc3c2=O)c1
InChIInChI=1S/C14H10FN3O2S/c15-10-2-1-8(13(16)19)5-9(10)6-18-7-17-11-3-4-21-12(11)14(18)20/h1-5,7H,6H2,(H2,16,19)
InChIKeyKXTRANUOQOXOAX-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.74
Rot. Bonds3

About 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide

4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide (PubChem CID 116620744) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
PubChem CID116620744
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(Cn2cnc3ccsc3c2=O)c1
InChIInChI=1S/C14H10FN3O2S/c15-10-2-1-8(13(16)19)5-9(10)6-18-7-17-11-3-4-21-12(11)14(18)20/h1-5,7H,6H2,(H2,16,19)
InChIKeyKXTRANUOQOXOAX-UHFFFAOYSA-N
XLogP1.74
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 64768870
4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577775
3-fluoro-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile
CID 17488045
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123516
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide (CID 116620744) is 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide is NC(=O)c1ccc(F)c(Cn2cnc3ccsc3c2=O)c1.
What is the InChIKey of 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The InChIKey is KXTRANUOQOXOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-10-2-1-8(13(16)19)5-9(10)6-18-7-17-11-3-4-21-12(11)14(18)20/h1-5,7H,6H2,(H2,16,19).
What are the key properties of 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide has a molecular weight of 303.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide is sourced from PubChem (CID 116620744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).