N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H21N3O3S — CID 17452430

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17452430) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 17452430
• Molecular Formula: C18H21N3O3S
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.13
• IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1cc(C)cc(OCCN(C)C(=O)c2cnc3n(c2=O)CCS3)c1
• InChI: InChI=1S/C18H21N3O3S/c1-12-8-13(2)10-14(9-12)24-6-4-20(3)16(22)15-11-19-18-21(17(15)23)5-7-25-18/h8-11H,4-7H2,1-3H3
• InChIKey: RJNBAFSFYAIFNE-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17452430) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cnc3n(c2=O)CCS3)c1.

What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is RJNBAFSFYAIFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-8-13(2)10-14(9-12)24-6-4-20(3)16(22)15-11-19-18-21(17(15)23)5-7-25-18/h8-11H,4-7H2,1-3H3.

What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).