1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one

C12H15N3O2S — CID 29483097

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one
SMILESO=C(CN1CCc2sccc2C1)N1CCNC1=O
InChIInChI=1S/C12H15N3O2S/c16-11(15-5-3-13-12(15)17)8-14-4-1-10-9(7-14)2-6-18-10/h2,6H,1,3-5,7-8H2,(H,13,17)
InChIKeyLITBEDRJYIEOCJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.66
Rot. Bonds2

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one (PubChem CID 29483097) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one
PubChem CID29483097
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one
SMILESO=C(CN1CCc2sccc2C1)N1CCNC1=O
InChIInChI=1S/C12H15N3O2S/c16-11(15-5-3-13-12(15)17)8-14-4-1-10-9(7-14)2-6-18-10/h2,6H,1,3-5,7-8H2,(H,13,17)
InChIKeyLITBEDRJYIEOCJ-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one (CID 29483097) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one is O=C(CN1CCc2sccc2C1)N1CCNC1=O.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one?
The InChIKey is LITBEDRJYIEOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-11(15-5-3-13-12(15)17)8-14-4-1-10-9(7-14)2-6-18-10/h2,6H,1,3-5,7-8H2,(H,13,17).
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one has a molecular weight of 265.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 29483097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).