3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine

C22H23FN2S — CID 15571265

About 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine

3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 15571265) has the molecular formula C22H23FN2S and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
• PubChem CID: 15571265
• Molecular Formula: C22H23FN2S
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.16
• IUPAC Name: 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
• SMILES: Cc1cccc(C(C2=CSC3=NCC(C)(C)CN23)c2ccc(F)cc2)c1
• InChI: InChI=1S/C22H23FN2S/c1-15-5-4-6-17(11-15)20(16-7-9-18(23)10-8-16)19-12-26-21-24-13-22(2,3)14-25(19)21/h4-12,20H,13-14H2,1-3H3
• InChIKey: SXGWETZNDIYBKP-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 15.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?

The IUPAC name of 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine (CID 15571265) is 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine.

What is the SMILES notation for 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?

The canonical SMILES for 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine is Cc1cccc(C(C2=CSC3=NCC(C)(C)CN23)c2ccc(F)cc2)c1.

What is the InChIKey of 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?

The InChIKey is SXGWETZNDIYBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2S/c1-15-5-4-6-17(11-15)20(16-7-9-18(23)10-8-16)19-12-26-21-24-13-22(2,3)14-25(19)21/h4-12,20H,13-14H2,1-3H3.

What are the key properties of 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?

3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 15571265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).