N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc

C37H44F2N8O6S6Zn — CID 159569769

About N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc

N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc (PubChem CID 159569769) has the molecular formula C37H44F2N8O6S6Zn and a molecular weight of 992.60 g/mol. Its IUPAC name is N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc.

Molecular Properties

• Compound Name: N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc
• PubChem CID: 159569769
• Molecular Formula: C37H44F2N8O6S6Zn
• Molecular Weight: 992.60 g/mol
• Exact Mass: 990.10
• IUPAC Name: N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc
• SMILES: CC(=O)Nc1sc2c(c1-c1nc3c(C(F)F)nccc3s1)CCNC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.CC(C)S(=O)O.CC(C)S(=O)O.[Zn]
• InChI: InChI=1S/C16H14F2N4OS2.C15H14N4OS2.2C3H8O2S.Zn/c1-7(23)21-15-11(8-2-4-19-6-10(8)25-15)16-22-12-9(24-16)3-5-20-13(12)14(17)18;1-8(20)18-14-13(9-2-4-17-7-12(9)22-14)15-19-10-6-16-5-3-11(10)21-15;2*1-3(2)6(4)5;/h3,5,14,19H,2,4,6H2,1H3,(H,21,23);3,5-6,17H,2,4,7H2,1H3,(H,18,20);2*3H,1-2H3,(H,4,5)
• InChIKey: WMPKKQJTDZZAQR-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 208.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	992.60
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc?

The IUPAC name of N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc (CID 159569769) is N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc.

What is the SMILES notation for N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc?

The canonical SMILES for N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc is CC(=O)Nc1sc2c(c1-c1nc3c(C(F)F)nccc3s1)CCNC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.CC(C)S(=O)O.CC(C)S(=O)O.[Zn].

What is the InChIKey of N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc?

The InChIKey is WMPKKQJTDZZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS2.C15H14N4OS2.2C3H8O2S.Zn/c1-7(23)21-15-11(8-2-4-19-6-10(8)25-15)16-22-12-9(24-16)3-5-20-13(12)14(17)18;1-8(20)18-14-13(9-2-4-17-7-12(9)22-14)15-19-10-6-16-5-3-11(10)21-15;2*1-3(2)6(4)5;/h3,5,14,19H,2,4,6H2,1H3,(H,21,23);3,5-6,17H,2,4,7H2,1H3,(H,18,20);2*3H,1-2H3,(H,4,5);.

What are the key properties of N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc?

N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc has a molecular weight of 992.60 g/mol, XLogP of 8.22, 7 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;bis(propane-2-sulfinic acid);N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;zinc is sourced from PubChem (CID 159569769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).