N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C21H20N4O3S2 — CID 27172901

About N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 27172901) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 27172901
• Molecular Formula: C21H20N4O3S2
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.10
• IUPAC Name: N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccc(N2CCCC2=O)cc1
• InChI: InChI=1S/C21H20N4O3S2/c26-18(11-15-13-30-21(23-15)24-20(28)17-3-2-10-29-17)22-12-14-5-7-16(8-6-14)25-9-1-4-19(25)27/h2-3,5-8,10,13H,1,4,9,11-12H2,(H,22,26)(H,23,24,28)
• InChIKey: YREJGHUHBCJADZ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 27172901) is N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccc(N2CCCC2=O)cc1.

What is the InChIKey of N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is YREJGHUHBCJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c26-18(11-15-13-30-21(23-15)24-20(28)17-3-2-10-29-17)22-12-14-5-7-16(8-6-14)25-9-1-4-19(25)27/h2-3,5-8,10,13H,1,4,9,11-12H2,(H,22,26)(H,23,24,28).

What are the key properties of N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 27172901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).