N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

C21H27N3O5S — CID 3911583

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3911583) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3911583
• Molecular Formula: C21H27N3O5S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.17
• IUPAC Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CC(=O)Nc2nc(C)c(C)s2)CC2CCCO2)c1
• InChI: InChI=1S/C21H27N3O5S/c1-13-14(2)30-21(22-13)23-19(25)12-24(11-16-6-5-7-29-16)20(26)15-8-17(27-3)10-18(9-15)28-4/h8-10,16H,5-7,11-12H2,1-4H3,(H,22,23,25)
• InChIKey: LIZGNRIFZDEIGV-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 3911583) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(CC(=O)Nc2nc(C)c(C)s2)CC2CCCO2)c1.

What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is LIZGNRIFZDEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-13-14(2)30-21(22-13)23-19(25)12-24(11-16-6-5-7-29-16)20(26)15-8-17(27-3)10-18(9-15)28-4/h8-10,16H,5-7,11-12H2,1-4H3,(H,22,23,25).

What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 433.53 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3911583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).