6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole

C22H21N7O2S2 — CID 144853798

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1cc(CSc2nnc3ccccn23)on1.O=C(N1CCc2sccc2C1)n1ccnc1
InChIInChI=1S/C11H10N4OS.C11H11N3OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11;15-11(14-5-3-12-8-14)13-4-1-10-9(7-13)2-6-16-10/h2-6H,7H2,1H3;2-3,5-6,8H,1,4,7H2
InChIKeyXKETZGZSGYUOTC-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.29
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 144853798) has the molecular formula C22H21N7O2S2 and a molecular weight of 479.59 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole
PubChem CID144853798
Molecular FormulaC22H21N7O2S2
Molecular Weight479.59 g/mol
Exact Mass479.12
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1cc(CSc2nnc3ccccn23)on1.O=C(N1CCc2sccc2C1)n1ccnc1
InChIInChI=1S/C11H10N4OS.C11H11N3OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11;15-11(14-5-3-12-8-14)13-4-1-10-9(7-13)2-6-16-10/h2-6H,7H2,1H3;2-3,5-6,8H,1,4,7H2
InChIKeyXKETZGZSGYUOTC-UHFFFAOYSA-N
XLogP4.29
TPSA94.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole (CID 144853798) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole is Cc1cc(CSc2nnc3ccccn23)on1.O=C(N1CCc2sccc2C1)n1ccnc1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is XKETZGZSGYUOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS.C11H11N3OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11;15-11(14-5-3-12-8-14)13-4-1-10-9(7-13)2-6-16-10/h2-6H,7H2,1H3;2-3,5-6,8H,1,4,7H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 479.59 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone;3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 144853798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).