N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C21H18N4O2S2 — CID 11502714

About N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 11502714) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 11502714
• Molecular Formula: C21H18N4O2S2
• Molecular Weight: 422.54 g/mol
• Exact Mass: 422.09
• IUPAC Name: N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)CCc1nccs1)C2
• InChI: InChI=1S/C21H18N4O2S2/c22-12-16-15-8-10-25(19(26)7-6-18-23-9-11-28-18)13-17(15)29-21(16)24-20(27)14-4-2-1-3-5-14/h1-5,9,11H,6-8,10,13H2,(H,24,27)
• InChIKey: QFOSZGODKDACBM-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 86.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.54
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The IUPAC name of N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 11502714) is N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

What is the SMILES notation for N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)CCc1nccs1)C2.

What is the InChIKey of N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The InChIKey is QFOSZGODKDACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c22-12-16-15-8-10-25(19(26)7-6-18-23-9-11-28-18)13-17(15)29-21(16)24-20(27)14-4-2-1-3-5-14/h1-5,9,11H,6-8,10,13H2,(H,24,27).

What are the key properties of N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 422.54 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 11502714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).