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

C23H19N3O4S — CID 53307600

IUPAC5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ncc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1
InChIInChI=1S/C23H19N3O4S/c1-29-23-24-12-15(13-25-23)17-3-2-4-19-18(17)9-10-20(19)30-16-7-5-14(6-8-16)21-11-22(27)26-31(21)28/h2-8,11-13,20H,9-10H2,1H3,(H,26,27)/t20-,31?/m1/s1
InChIKeyANMVRZJFTCEYCW-DXHYANOHSA-N
MW433.49 g/mol
LogP3.35
Rot. Bonds5

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

5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 53307600) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID53307600
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ncc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1
InChIInChI=1S/C23H19N3O4S/c1-29-23-24-12-15(13-25-23)17-3-2-4-19-18(17)9-10-20(19)30-16-7-5-14(6-8-16)21-11-22(27)26-31(21)28/h2-8,11-13,20H,9-10H2,1H3,(H,26,27)/t20-,31?/m1/s1
InChIKeyANMVRZJFTCEYCW-DXHYANOHSA-N
XLogP3.35
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-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-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 53307600) is 5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-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-methoxypyrimidin-5-yl)-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-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is COc1ncc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.
What is the InChIKey of 5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is ANMVRZJFTCEYCW-DXHYANOHSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-29-23-24-12-15(13-25-23)17-3-2-4-19-18(17)9-10-20(19)30-16-7-5-14(6-8-16)21-11-22(27)26-31(21)28/h2-8,11-13,20H,9-10H2,1H3,(H,26,27)/t20-,31?/m1/s1.
What are the key properties of 5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 433.49 g/mol, XLogP of 3.35, 5 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-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 53307600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).