1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

C14H9FN2OS2 — CID 8676106

IUPAC1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)c1cccc(F)c1
InChIInChI=1S/C14H9FN2OS2/c15-10-3-1-2-9(6-10)12(18)7-20-14-11-4-5-19-13(11)16-8-17-14/h1-6,8H,7H2
InChIKeySAQRXBLDWIVWAE-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 8676106) has the molecular formula C14H9FN2OS2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID8676106
Molecular FormulaC14H9FN2OS2
Molecular Weight304.37 g/mol
Exact Mass304.01
IUPAC Name1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)c1cccc(F)c1
InChIInChI=1S/C14H9FN2OS2/c15-10-3-1-2-9(6-10)12(18)7-20-14-11-4-5-19-13(11)16-8-17-14/h1-6,8H,7H2
InChIKeySAQRXBLDWIVWAE-UHFFFAOYSA-N
XLogP3.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluorophenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8676488
N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
CID 2620993
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
3-methyl-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-1,3-dihydroindol-2-one
CID 17476712
1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 4596542
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889521
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889522
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889173
3-methyl-N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]butanamide
CID 7889277
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41061274
2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 24518916
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 8676106) is 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2sccc12)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is SAQRXBLDWIVWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS2/c15-10-3-1-2-9(6-10)12(18)7-20-14-11-4-5-19-13(11)16-8-17-14/h1-6,8H,7H2.
What are the key properties of 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 304.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 8676106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).