N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C19H15Cl2N3O2S2 — CID 55331245

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55331245) has the molecular formula C19H15Cl2N3O2S2 and a molecular weight of 452.39 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
• PubChem CID: 55331245
• Molecular Formula: C19H15Cl2N3O2S2
• Molecular Weight: 452.39 g/mol
• Exact Mass: 451.00
• IUPAC Name: N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CCCN1C(=O)c1cccs1
• InChI: InChI=1S/C19H15Cl2N3O2S2/c20-11-5-6-13(21)12(9-11)14-10-28-19(22-14)23-17(25)15-3-1-7-24(15)18(26)16-4-2-8-27-16/h2,4-6,8-10,15H,1,3,7H2,(H,22,23,25)
• InChIKey: WSGOYBRNYCTDJL-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.39
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 55331245) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CCCN1C(=O)c1cccs1.

What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?

The InChIKey is WSGOYBRNYCTDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S2/c20-11-5-6-13(21)12(9-11)14-10-28-19(22-14)23-17(25)15-3-1-7-24(15)18(26)16-4-2-8-27-16/h2,4-6,8-10,15H,1,3,7H2,(H,22,23,25).

What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 452.39 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55331245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).