6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C19H19N5O2S2 — CID 92623199

About 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 92623199) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 92623199
• Molecular Formula: C19H19N5O2S2
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.10
• IUPAC Name: 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
• SMILES: Cc1nc(CC(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cs1
• InChI: InChI=1S/C19H19N5O2S2/c1-12-22-14(11-28-12)9-17(25)24-7-2-3-16(24)15-5-4-13(10-21-15)18(26)23-19-20-6-8-27-19/h4-6,8,10-11,16H,2-3,7,9H2,1H3,(H,20,23,26)/t16-/m1/s1
• InChIKey: RBWOMFPTSZTTSO-MRXNPFEDSA-N
• XLogP: 3.46
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 92623199) is 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1nc(CC(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cs1.

What is the InChIKey of 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is RBWOMFPTSZTTSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-12-22-14(11-28-12)9-17(25)24-7-2-3-16(24)15-5-4-13(10-21-15)18(26)23-19-20-6-8-27-19/h4-6,8,10-11,16H,2-3,7,9H2,1H3,(H,20,23,26)/t16-/m1/s1.

What are the key properties of 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 92623199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).