(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C23H18N2O2S — CID 51426962

IUPAC(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCOc1ccc([C@@H]2C=C(c3ccc4ccccc4c3)N=C3SCC(=O)N32)cc1
InChIInChI=1S/C23H18N2O2S/c1-27-19-10-8-16(9-11-19)21-13-20(24-23-25(21)22(26)14-28-23)18-7-6-15-4-2-3-5-17(15)12-18/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyWWUYUNUPGMEILI-NRFANRHFSA-N
MW386.48 g/mol
LogP4.88
Rot. Bonds3

About (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 51426962) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID51426962
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCOc1ccc([C@@H]2C=C(c3ccc4ccccc4c3)N=C3SCC(=O)N32)cc1
InChIInChI=1S/C23H18N2O2S/c1-27-19-10-8-16(9-11-19)21-13-20(24-23-25(21)22(26)14-28-23)18-7-6-15-4-2-3-5-17(15)12-18/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyWWUYUNUPGMEILI-NRFANRHFSA-N
XLogP4.88
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 51426962) is (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is COc1ccc([C@@H]2C=C(c3ccc4ccccc4c3)N=C3SCC(=O)N32)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is WWUYUNUPGMEILI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-19-10-8-16(9-11-19)21-13-20(24-23-25(21)22(26)14-28-23)18-7-6-15-4-2-3-5-17(15)12-18/h2-13,21H,14H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 386.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 51426962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).