[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C21H16N2OS3 — CID 33168532

IUPAC[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C21H16N2OS3/c24-21(16-13-27-20(22-16)18-7-4-11-25-18)23-10-8-17-15(9-12-26-17)19(23)14-5-2-1-3-6-14/h1-7,9,11-13,19H,8,10H2/t19-/m1/s1
InChIKeyWWFSKROYTLVCTN-LJQANCHMSA-N
MW408.57 g/mol
LogP5.72
Rot. Bonds3

About [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 33168532) has the molecular formula C21H16N2OS3 and a molecular weight of 408.57 g/mol. Its IUPAC name is [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID33168532
Molecular FormulaC21H16N2OS3
Molecular Weight408.57 g/mol
Exact Mass408.04
IUPAC Name[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C21H16N2OS3/c24-21(16-13-27-20(22-16)18-7-4-11-25-18)23-10-8-17-15(9-12-26-17)19(23)14-5-2-1-3-6-14/h1-7,9,11-13,19H,8,10H2/t19-/m1/s1
InChIKeyWWFSKROYTLVCTN-LJQANCHMSA-N
XLogP5.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 33168532) is [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@H]1c1ccccc1.
What is the InChIKey of [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is WWFSKROYTLVCTN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H16N2OS3/c24-21(16-13-27-20(22-16)18-7-4-11-25-18)23-10-8-17-15(9-12-26-17)19(23)14-5-2-1-3-6-14/h1-7,9,11-13,19H,8,10H2/t19-/m1/s1.
What are the key properties of [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 408.57 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 33168532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).