N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide

C16H18N4O2S2 — CID 162698002

About N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide

N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide (PubChem CID 162698002) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 162698002
• Molecular Formula: C16H18N4O2S2
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.09
• IUPAC Name: N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccc(C(=O)N2CC(c3nccs3)C2)s1)C1CCCN1
• InChI: InChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21)
• InChIKey: XXEFZFWFYAPRID-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide (CID 162698002) is N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CC(c3nccs3)C2)s1)C1CCCN1.

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

The InChIKey is XXEFZFWFYAPRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21).

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

N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162698002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).