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

C21H23N5O2S2 — CID 159877409

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

molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one (PubChem CID 159877409) has the molecular formula C21H23N5O2S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one.

Molecular Properties

• Compound Name: molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
• PubChem CID: 159877409
• Molecular Formula: C21H23N5O2S2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.13
• IUPAC Name: molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
• SMILES: O=C(CCCCc1ncon1)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H]
• InChI: InChI=1S/C21H21N5O2S2.H2/c27-13(3-1-2-4-19-24-12-28-26-19)9-17-20(14-5-7-23-11-18(14)29-17)21-25-15-10-22-8-6-16(15)30-21;/h6,8,10,12,23H,1-5,7,9,11H2;1H
• InChIKey: NTBXCIYKCZGEDS-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one (CID 159877409) is molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one.

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

The canonical SMILES for molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one is O=C(CCCCc1ncon1)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H].

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

The InChIKey is NTBXCIYKCZGEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S2.H2/c27-13(3-1-2-4-19-24-12-28-26-19)9-17-20(14-5-7-23-11-18(14)29-17)21-25-15-10-22-8-6-16(15)30-21;/h6,8,10,12,23H,1-5,7,9,11H2;1H.

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

molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one has a molecular weight of 441.58 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one is sourced from PubChem (CID 159877409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).