5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one

C25H22N2O5S — CID 67986907

IUPAC5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(OC)n1
InChIInChI=1S/C25H22N2O5S/c1-30-24-13-11-20(25(26-24)31-2)17-4-3-5-19-18(17)10-12-21(19)32-16-8-6-15(7-9-16)22-14-23(28)27-33(22)29/h3-9,11,13-14,21H,10,12H2,1-2H3,(H,27,28)/t21-,33?/m1/s1
InChIKeyKRYUUGMROSGCOL-GGPMTTHASA-N
MW462.53 g/mol
LogP3.97
Rot. Bonds6

About 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 67986907) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID67986907
Molecular FormulaC25H22N2O5S
Molecular Weight462.53 g/mol
Exact Mass462.12
IUPAC Name5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(OC)n1
InChIInChI=1S/C25H22N2O5S/c1-30-24-13-11-20(25(26-24)31-2)17-4-3-5-19-18(17)10-12-21(19)32-16-8-6-15(7-9-16)22-14-23(28)27-33(22)29/h3-9,11,13-14,21H,10,12H2,1-2H3,(H,27,28)/t21-,33?/m1/s1
InChIKeyKRYUUGMROSGCOL-GGPMTTHASA-N
XLogP3.97
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-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 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 67986907) is 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is COc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(OC)n1.
What is the InChIKey of 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is KRYUUGMROSGCOL-GGPMTTHASA-N. The full InChI is InChI=1S/C25H22N2O5S/c1-30-24-13-11-20(25(26-24)31-2)17-4-3-5-19-18(17)10-12-21(19)32-16-8-6-15(7-9-16)22-14-23(28)27-33(22)29/h3-9,11,13-14,21H,10,12H2,1-2H3,(H,27,28)/t21-,33?/m1/s1.
What are the key properties of 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 462.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 67986907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).