N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C20H16N6O2S2 — CID 90526831

About N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90526831) has the molecular formula C20H16N6O2S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 90526831
• Molecular Formula: C20H16N6O2S2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.08
• IUPAC Name: N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)c1cnn(-c3ccccc3)n1)CC2)c1cccs1
• InChI: InChI=1S/C20H16N6O2S2/c27-18(16-7-4-10-29-16)23-20-22-14-8-9-25(12-17(14)30-20)19(28)15-11-21-26(24-15)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,22,23,27)
• InChIKey: KZNPVUCIPFPDOT-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90526831) is N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cnn(-c3ccccc3)n1)CC2)c1cccs1.

What is the InChIKey of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The InChIKey is KZNPVUCIPFPDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S2/c27-18(16-7-4-10-29-16)23-20-22-14-8-9-25(12-17(14)30-20)19(28)15-11-21-26(24-15)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,22,23,27).

What are the key properties of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90526831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).