N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H20N4O2S — CID 24516198

About N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 24516198) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 24516198
• Molecular Formula: C17H20N4O2S
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.13
• IUPAC Name: N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CN(C)CC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
• InChI: InChI=1S/C17H20N4O2S/c1-20(2)11-14(12-6-4-3-5-7-12)19-15(22)13-10-18-17-21(16(13)23)8-9-24-17/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,22)
• InChIKey: UNGJODKARKQDMA-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 24516198) is N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C)CC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1.

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

The InChIKey is UNGJODKARKQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-20(2)11-14(12-6-4-3-5-7-12)19-15(22)13-10-18-17-21(16(13)23)8-9-24-17/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,22).

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

N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).