N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H14ClN3O2S — CID 4644163

About N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4644163) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 4644163
• Molecular Formula: C15H14ClN3O2S
• Molecular Weight: 335.82 g/mol
• Exact Mass: 335.05
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C15H14ClN3O2S/c16-11-3-1-10(2-4-11)5-6-17-13(20)12-9-18-15-19(14(12)21)7-8-22-15/h1-4,9H,5-8H2,(H,17,20)
• InChIKey: INEISHAGJAJWBC-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.82
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4644163) is N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2.

What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is INEISHAGJAJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-11-3-1-10(2-4-11)5-6-17-13(20)12-9-18-15-19(14(12)21)7-8-22-15/h1-4,9H,5-8H2,(H,17,20).

What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4644163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).