6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen

C23H29N5OS2 — CID 157200673

About 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen

6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen (PubChem CID 157200673) has the molecular formula C23H29N5OS2 and a molecular weight of 455.65 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen
• PubChem CID: 157200673
• Molecular Formula: C23H29N5OS2
• Molecular Weight: 455.65 g/mol
• Exact Mass: 455.18
• IUPAC Name: 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen
• SMILES: CC(CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2)c1ncc[nH]1.[H][H].[H][H]
• InChI: InChI=1S/C23H25N5OS2.2H2/c1-14(22-26-9-10-27-22)3-2-4-15(29)11-19-21(16-5-7-25-13-20(16)30-19)23-28-17-12-24-8-6-18(17)31-23;;/h6,8-10,12,14,25H,2-5,7,11,13H2,1H3,(H,26,27);2*1H
• InChIKey: AQTJFSDKKJGJFO-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.65
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen?

The IUPAC name of 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen (CID 157200673) is 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen.

What is the SMILES notation for 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen?

The canonical SMILES for 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen is CC(CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2)c1ncc[nH]1.[H][H].[H][H].

What is the InChIKey of 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen?

The InChIKey is AQTJFSDKKJGJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS2.2H2/c1-14(22-26-9-10-27-22)3-2-4-15(29)11-19-21(16-5-7-25-13-20(16)30-19)23-28-17-12-24-8-6-18(17)31-23;;/h6,8-10,12,14,25H,2-5,7,11,13H2,1H3,(H,26,27);2*1H.

What are the key properties of 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen?

6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen has a molecular weight of 455.65 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen is sourced from PubChem (CID 157200673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).