2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C18H21ClFN3OS — CID 108726723

About 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 108726723) has the molecular formula C18H21ClFN3OS and a molecular weight of 381.90 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 108726723
• Molecular Formula: C18H21ClFN3OS
• Molecular Weight: 381.90 g/mol
• Exact Mass: 381.11
• IUPAC Name: 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: Cc1nc(NC(=O)c2c(F)cccc2Cl)sc1CN1CCC(C)CC1
• InChI: InChI=1S/C18H21ClFN3OS/c1-11-6-8-23(9-7-11)10-15-12(2)21-18(25-15)22-17(24)16-13(19)4-3-5-14(16)20/h3-5,11H,6-10H2,1-2H3,(H,21,22,24)
• InChIKey: CBIDMSAPXQSGPW-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.90
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 108726723) is 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2c(F)cccc2Cl)sc1CN1CCC(C)CC1.

What is the InChIKey of 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is CBIDMSAPXQSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3OS/c1-11-6-8-23(9-7-11)10-15-12(2)21-18(25-15)22-17(24)16-13(19)4-3-5-14(16)20/h3-5,11H,6-10H2,1-2H3,(H,21,22,24).

What are the key properties of 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 381.90 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108726723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).