N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide

C27H26N6O2S2 — CID 56598445

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide (PubChem CID 56598445) has the molecular formula C27H26N6O2S2 and a molecular weight of 530.68 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
• PubChem CID: 56598445
• Molecular Formula: C27H26N6O2S2
• Molecular Weight: 530.68 g/mol
• Exact Mass: 530.16
• IUPAC Name: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
• SMILES: CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1
• InChI: InChI=1S/C27H26N6O2S2/c1-32-13-11-21-24(15-32)37-27(28-21)29-25(34)20-5-2-4-19(14-20)23-6-3-12-33(23)26(35)18-9-7-17(8-10-18)22-16-36-31-30-22/h2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34)/t23-/m1/s1
• InChIKey: WUVWMFWVKXXXTO-HSZRJFAPSA-N
• XLogP: 4.88
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.68
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?

The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide (CID 56598445) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide.

What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?

The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide is CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1.

What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?

The InChIKey is WUVWMFWVKXXXTO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H26N6O2S2/c1-32-13-11-21-24(15-32)37-27(28-21)29-25(34)20-5-2-4-19(14-20)23-6-3-12-33(23)26(35)18-9-7-17(8-10-18)22-16-36-31-30-22/h2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34)/t23-/m1/s1.

What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide has a molecular weight of 530.68 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide is sourced from PubChem (CID 56598445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).