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

C26H21ClFN3O2S — CID 22716607

IUPAC6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESNC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1ccccc1F)CS2)c1ccccc1
InChIInChI=1S/C26H21ClFN3O2S/c27-19-12-6-4-10-17(19)23-24(32)30(14-21(29)16-8-2-1-3-9-16)26(33)31-22(15-34-25(23)31)18-11-5-7-13-20(18)28/h1-13,21-22H,14-15,29H2
InChIKeyROPGIFWSWMTPPO-UHFFFAOYSA-N
MW493.99 g/mol
LogP4.86
Rot. Bonds5

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

6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (PubChem CID 22716607) has the molecular formula C26H21ClFN3O2S and a molecular weight of 493.99 g/mol. Its IUPAC name is 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
PubChem CID22716607
Molecular FormulaC26H21ClFN3O2S
Molecular Weight493.99 g/mol
Exact Mass493.10
IUPAC Name6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESNC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1ccccc1F)CS2)c1ccccc1
InChIInChI=1S/C26H21ClFN3O2S/c27-19-12-6-4-10-17(19)23-24(32)30(14-21(29)16-8-2-1-3-9-16)26(33)31-22(15-34-25(23)31)18-11-5-7-13-20(18)28/h1-13,21-22H,14-15,29H2
InChIKeyROPGIFWSWMTPPO-UHFFFAOYSA-N
XLogP4.86
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The IUPAC name of 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (CID 22716607) is 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(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)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is NC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1ccccc1F)CS2)c1ccccc1.
What is the InChIKey of 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The InChIKey is ROPGIFWSWMTPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O2S/c27-19-12-6-4-10-17(19)23-24(32)30(14-21(29)16-8-2-1-3-9-16)26(33)31-22(15-34-25(23)31)18-11-5-7-13-20(18)28/h1-13,21-22H,14-15,29H2.
What are the key properties of 6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
6-(2-amino-2-phenylethyl)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione has a molecular weight of 493.99 g/mol, XLogP of 4.86, 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)-8-(2-chlorophenyl)-3-(2-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is sourced from PubChem (CID 22716607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).