N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

C20H18ClN3O2S — CID 26011622

About N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 26011622) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
• PubChem CID: 26011622
• Molecular Formula: C20H18ClN3O2S
• Molecular Weight: 399.90 g/mol
• Exact Mass: 399.08
• IUPAC Name: N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1
• InChI: InChI=1S/C20H18ClN3O2S/c1-13-3-2-4-15(9-13)19(26)22-12-18(25)24-20-23-11-17(27-20)10-14-5-7-16(21)8-6-14/h2-9,11H,10,12H2,1H3,(H,22,26)(H,23,24,25)
• InChIKey: GUCULNCTPKQRAZ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.90
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?

The IUPAC name of N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 26011622) is N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.

What is the SMILES notation for N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?

The canonical SMILES for N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1.

What is the InChIKey of N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?

The InChIKey is GUCULNCTPKQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13-3-2-4-15(9-13)19(26)22-12-18(25)24-20-23-11-17(27-20)10-14-5-7-16(21)8-6-14/h2-9,11H,10,12H2,1H3,(H,22,26)(H,23,24,25).

What are the key properties of N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?

N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 399.90 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 26011622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).