6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione

C22H20N2O3S — CID 10200534

IUPAC6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESO=c1cc2sc(C(O)CCc3ccccc3)cn2c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H20N2O3S/c25-18(12-11-16-7-3-1-4-8-16)19-15-24-21(28-19)13-20(26)23(22(24)27)14-17-9-5-2-6-10-17/h1-10,13,15,18,25H,11-12,14H2
InChIKeyJAVHVXWXIQCQKU-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.24
Rot. Bonds6

About 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione

6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (PubChem CID 10200534) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
PubChem CID10200534
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione
SMILESO=c1cc2sc(C(O)CCc3ccccc3)cn2c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H20N2O3S/c25-18(12-11-16-7-3-1-4-8-16)19-15-24-21(28-19)13-20(26)23(22(24)27)14-17-9-5-2-6-10-17/h1-10,13,15,18,25H,11-12,14H2
InChIKeyJAVHVXWXIQCQKU-UHFFFAOYSA-N
XLogP3.24
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The IUPAC name of 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione (CID 10200534) is 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione.
What is the SMILES notation for 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The canonical SMILES for 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is O=c1cc2sc(C(O)CCc3ccccc3)cn2c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
The InChIKey is JAVHVXWXIQCQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-18(12-11-16-7-3-1-4-8-16)19-15-24-21(28-19)13-20(26)23(22(24)27)14-17-9-5-2-6-10-17/h1-10,13,15,18,25H,11-12,14H2.
What are the key properties of 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione?
6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione has a molecular weight of 392.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(1-hydroxy-3-phenylpropyl)-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione is sourced from PubChem (CID 10200534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).