N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide

C20H18FN3O2S — CID 38274070

About N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 38274070) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide
• PubChem CID: 38274070
• Molecular Formula: C20H18FN3O2S
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NCC(=O)/N=c2\sccn2Cc2ccccc2F)c1
• InChI: InChI=1S/C20H18FN3O2S/c1-14-5-4-7-15(11-14)19(26)22-12-18(25)23-20-24(9-10-27-20)13-16-6-2-3-8-17(16)21/h2-11H,12-13H2,1H3,(H,22,26)/b23-20-
• InChIKey: LNSMJPUAISUCKK-ATJXCDBQSA-N
• XLogP: 2.90
• TPSA: 63.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide?

The IUPAC name of N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide (CID 38274070) is N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide.

What is the SMILES notation for N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide?

The canonical SMILES for N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)/N=c2\sccn2Cc2ccccc2F)c1.

What is the InChIKey of N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide?

The InChIKey is LNSMJPUAISUCKK-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-14-5-4-7-15(11-14)19(26)22-12-18(25)23-20-24(9-10-27-20)13-16-6-2-3-8-17(16)21/h2-11H,12-13H2,1H3,(H,22,26)/b23-20-.

What are the key properties of N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide?

N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 38274070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).