6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione

C26H20F3N3O2S — CID 22716575

IUPAC6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESNC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1c(F)cccc1F)CS2)c1ccccc1
InChIInChI=1S/C26H20F3N3O2S/c27-17-10-5-4-9-16(17)22-24(33)31(13-20(30)15-7-2-1-3-8-15)26(34)32-21(14-35-25(22)32)23-18(28)11-6-12-19(23)29/h1-12,20-21H,13-14,30H2
InChIKeyRDIYQPIRFWENSN-UHFFFAOYSA-N
MW495.53 g/mol
LogP4.49
Rot. Bonds5

About 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione

6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (PubChem CID 22716575) has the molecular formula C26H20F3N3O2S and a molecular weight of 495.53 g/mol. Its IUPAC name is 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
PubChem CID22716575
Molecular FormulaC26H20F3N3O2S
Molecular Weight495.53 g/mol
Exact Mass495.12
IUPAC Name6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESNC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1c(F)cccc1F)CS2)c1ccccc1
InChIInChI=1S/C26H20F3N3O2S/c27-17-10-5-4-9-16(17)22-24(33)31(13-20(30)15-7-2-1-3-8-15)26(34)32-21(14-35-25(22)32)23-18(28)11-6-12-19(23)29/h1-12,20-21H,13-14,30H2
InChIKeyRDIYQPIRFWENSN-UHFFFAOYSA-N
XLogP4.49
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The IUPAC name of 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (CID 22716575) is 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is NC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1c(F)cccc1F)CS2)c1ccccc1.
What is the InChIKey of 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The InChIKey is RDIYQPIRFWENSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2S/c27-17-10-5-4-9-16(17)22-24(33)31(13-20(30)15-7-2-1-3-8-15)26(34)32-21(14-35-25(22)32)23-18(28)11-6-12-19(23)29/h1-12,20-21H,13-14,30H2.
What are the key properties of 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione has a molecular weight of 495.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-phenylethyl)-3-(2,6-difluorophenyl)-8-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is sourced from PubChem (CID 22716575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).