N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

C20H21N5O3S — CID 112802274

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112802274) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
• PubChem CID: 112802274
• Molecular Formula: C20H21N5O3S
• Molecular Weight: 411.49 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(N4CCCC4)ccn3)n2)o1
• InChI: InChI=1S/C20H21N5O3S/c1-13(26)22-11-15-4-5-18(28-15)17-12-29-20(23-17)24-19(27)16-10-14(6-7-21-16)25-8-2-3-9-25/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,26)(H,23,24,27)
• InChIKey: CEMJGMUFFMDXDT-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.49
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112802274) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(N4CCCC4)ccn3)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?

The InChIKey is CEMJGMUFFMDXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-13(26)22-11-15-4-5-18(28-15)17-12-29-20(23-17)24-19(27)16-10-14(6-7-21-16)25-8-2-3-9-25/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,26)(H,23,24,27).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112802274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).