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

C17H14FN3OS3 — CID 9322175

IUPAC1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCS[C@@H]1c1ccccc1F
InChIInChI=1S/C17H14FN3OS3/c18-13-4-2-1-3-11(13)17-21(6-8-24-17)14(22)9-25-16-12-5-7-23-15(12)19-10-20-16/h1-5,7,10,17H,6,8-9H2/t17-/m1/s1
InChIKeyJTRUAKWIZRBYMJ-QGZVFWFLSA-N
MW391.52 g/mol
LogP4.20
Rot. Bonds4

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

1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 9322175) has the molecular formula C17H14FN3OS3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID9322175
Molecular FormulaC17H14FN3OS3
Molecular Weight391.52 g/mol
Exact Mass391.03
IUPAC Name1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCS[C@@H]1c1ccccc1F
InChIInChI=1S/C17H14FN3OS3/c18-13-4-2-1-3-11(13)17-21(6-8-24-17)14(22)9-25-16-12-5-7-23-15(12)19-10-20-16/h1-5,7,10,17H,6,8-9H2/t17-/m1/s1
InChIKeyJTRUAKWIZRBYMJ-QGZVFWFLSA-N
XLogP4.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 9322175) is 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2sccc12)N1CCS[C@@H]1c1ccccc1F.
What is the InChIKey of 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is JTRUAKWIZRBYMJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14FN3OS3/c18-13-4-2-1-3-11(13)17-21(6-8-24-17)14(22)9-25-16-12-5-7-23-15(12)19-10-20-16/h1-5,7,10,17H,6,8-9H2/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 391.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 9322175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).