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

C26H20Cl2FN3O2S — CID 22716616

IUPAC6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESNC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1c(F)cccc1Cl)CS2)c1ccccc1
InChIInChI=1S/C26H20Cl2FN3O2S/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
InChIKeyBDFYRMRVXMFJCD-UHFFFAOYSA-N
MW528.44 g/mol
LogP5.52
Rot. Bonds5

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

6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (PubChem CID 22716616) has the molecular formula C26H20Cl2FN3O2S and a molecular weight of 528.44 g/mol. Its IUPAC name is 6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
PubChem CID22716616
Molecular FormulaC26H20Cl2FN3O2S
Molecular Weight528.44 g/mol
Exact Mass527.06
IUPAC Name6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESNC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1c(F)cccc1Cl)CS2)c1ccccc1
InChIInChI=1S/C26H20Cl2FN3O2S/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
InChIKeyBDFYRMRVXMFJCD-UHFFFAOYSA-N
XLogP5.52
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The IUPAC name of 6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (CID 22716616) is 6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-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-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is NC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1c(F)cccc1Cl)CS2)c1ccccc1.
What is the InChIKey of 6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The InChIKey is BDFYRMRVXMFJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2FN3O2S/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-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
6-(2-amino-2-phenylethyl)-3-(2-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione has a molecular weight of 528.44 g/mol, XLogP of 5.52, 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-chloro-6-fluorophenyl)-8-(2-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is sourced from PubChem (CID 22716616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).