N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide

C23H23N3O3S2 — CID 43073205

About N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide

N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43073205) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 43073205
• Molecular Formula: C23H23N3O3S2
• Molecular Weight: 453.59 g/mol
• Exact Mass: 453.12
• IUPAC Name: N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
• SMILES: Cc1nc(COc2cccc(C(=O)N3CSCC3C(=O)NCc3ccccc3)c2)cs1
• InChI: InChI=1S/C23H23N3O3S2/c1-16-25-19(13-31-16)12-29-20-9-5-8-18(10-20)23(28)26-15-30-14-21(26)22(27)24-11-17-6-3-2-4-7-17/h2-10,13,21H,11-12,14-15H2,1H3,(H,24,27)
• InChIKey: YXMUDRVRYRZJBR-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.59
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide (CID 43073205) is N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(COc2cccc(C(=O)N3CSCC3C(=O)NCc3ccccc3)c2)cs1.

What is the InChIKey of N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is YXMUDRVRYRZJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-16-25-19(13-31-16)12-29-20-9-5-8-18(10-20)23(28)26-15-30-14-21(26)22(27)24-11-17-6-3-2-4-7-17/h2-10,13,21H,11-12,14-15H2,1H3,(H,24,27).

What are the key properties of N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide?

N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43073205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).