6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

C19H23N5O2S — CID 155858216

About 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (PubChem CID 155858216) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
• PubChem CID: 155858216
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
• SMILES: O=C(Nc1ccncc1)c1nc2c(s1)CCN(CC(=O)N1CCCC1)CC2
• InChI: InChI=1S/C19H23N5O2S/c25-17(24-9-1-2-10-24)13-23-11-5-15-16(6-12-23)27-19(22-15)18(26)21-14-3-7-20-8-4-14/h3-4,7-8H,1-2,5-6,9-13H2,(H,20,21,26)
• InChIKey: YOUGNTCWKZUWLE-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?

The IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (CID 155858216) is 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

What is the SMILES notation for 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?

The canonical SMILES for 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is O=C(Nc1ccncc1)c1nc2c(s1)CCN(CC(=O)N1CCCC1)CC2.

What is the InChIKey of 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?

The InChIKey is YOUGNTCWKZUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c25-17(24-9-1-2-10-24)13-23-11-5-15-16(6-12-23)27-19(22-15)18(26)21-14-3-7-20-8-4-14/h3-4,7-8H,1-2,5-6,9-13H2,(H,20,21,26).

What are the key properties of 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?

6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is sourced from PubChem (CID 155858216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).