3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one

C18H15ClN2O5S — CID 135079646

IUPAC3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one
SMILESCOc1ccc(CN2C(=O)C3ON=C(c4ccc(Cl)cc4)C3S2(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O5S/c1-25-14-8-2-11(3-9-14)10-21-18(22)16-17(27(21,23)24)15(20-26-16)12-4-6-13(19)7-5-12/h2-9,16-17H,10H2,1H3
InChIKeyMEKQOAQDAVHPFJ-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.19
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one

3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one (PubChem CID 135079646) has the molecular formula C18H15ClN2O5S and a molecular weight of 406.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one
PubChem CID135079646
Molecular FormulaC18H15ClN2O5S
Molecular Weight406.85 g/mol
Exact Mass406.04
IUPAC Name3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one
SMILESCOc1ccc(CN2C(=O)C3ON=C(c4ccc(Cl)cc4)C3S2(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O5S/c1-25-14-8-2-11(3-9-14)10-21-18(22)16-17(27(21,23)24)15(20-26-16)12-4-6-13(19)7-5-12/h2-9,16-17H,10H2,1H3
InChIKeyMEKQOAQDAVHPFJ-UHFFFAOYSA-N
XLogP2.19
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one 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 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one (CID 135079646) is 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one is COc1ccc(CN2C(=O)C3ON=C(c4ccc(Cl)cc4)C3S2(=O)=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one?
The InChIKey is MEKQOAQDAVHPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5S/c1-25-14-8-2-11(3-9-14)10-21-18(22)16-17(27(21,23)24)15(20-26-16)12-4-6-13(19)7-5-12/h2-9,16-17H,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one?
3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one has a molecular weight of 406.85 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-3a,6a-dihydro-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one is sourced from PubChem (CID 135079646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).