3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide

C20H18Cl2N4OS — CID 132772385

About 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide

3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 132772385) has the molecular formula C20H18Cl2N4OS and a molecular weight of 433.36 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 132772385
• Molecular Formula: C20H18Cl2N4OS
• Molecular Weight: 433.36 g/mol
• Exact Mass: 432.06
• IUPAC Name: 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
• SMILES: O=C(Nc1nc(C2CCCN2Cc2ccc(Cl)cn2)cs1)c1cccc(Cl)c1
• InChI: InChI=1S/C20H18Cl2N4OS/c21-14-4-1-3-13(9-14)19(27)25-20-24-17(12-28-20)18-5-2-8-26(18)11-16-7-6-15(22)10-23-16/h1,3-4,6-7,9-10,12,18H,2,5,8,11H2,(H,24,25,27)
• InChIKey: FBURIZCZZGNDNT-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.36
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide (CID 132772385) is 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C2CCCN2Cc2ccc(Cl)cn2)cs1)c1cccc(Cl)c1.

What is the InChIKey of 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is FBURIZCZZGNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4OS/c21-14-4-1-3-13(9-14)19(27)25-20-24-17(12-28-20)18-5-2-8-26(18)11-16-7-6-15(22)10-23-16/h1,3-4,6-7,9-10,12,18H,2,5,8,11H2,(H,24,25,27).

What are the key properties of 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 433.36 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 132772385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).