3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C24H21ClN4O4S — CID 121027245

About 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121027245) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 121027245
• Molecular Formula: C24H21ClN4O4S
• Molecular Weight: 496.98 g/mol
• Exact Mass: 496.10
• IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
• SMILES: COc1ccc(-c2nc(CCNC(=O)c3c[nH]c(=O)n(Cc4ccccc4Cl)c3=O)cs2)cc1
• InChI: InChI=1S/C24H21ClN4O4S/c1-33-18-8-6-15(7-9-18)22-28-17(14-34-22)10-11-26-21(30)19-12-27-24(32)29(23(19)31)13-16-4-2-3-5-20(16)25/h2-9,12,14H,10-11,13H2,1H3,(H,26,30)(H,27,32)
• InChIKey: BLTKIMQMZWZKLO-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.98
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121027245) is 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3c[nH]c(=O)n(Cc4ccccc4Cl)c3=O)cs2)cc1.

What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The InChIKey is BLTKIMQMZWZKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-33-18-8-6-15(7-9-18)22-28-17(14-34-22)10-11-26-21(30)19-12-27-24(32)29(23(19)31)13-16-4-2-3-5-20(16)25/h2-9,12,14H,10-11,13H2,1H3,(H,26,30)(H,27,32).

What are the key properties of 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 496.98 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121027245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).