2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole

C22H22N2OS — CID 58393897

IUPAC2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole
SMILESc1ccc2c(c1)C[C@H](N1CCCC1)[C@H]2Oc1ccc(-c2nccs2)cc1
InChIInChI=1S/C22H22N2OS/c1-2-6-19-17(5-1)15-20(24-12-3-4-13-24)21(19)25-18-9-7-16(8-10-18)22-23-11-14-26-22/h1-2,5-11,14,20-21H,3-4,12-13,15H2/t20-,21-/m0/s1
InChIKeyVZPLWXCOSBOCJY-SFTDATJTSA-N
MW362.50 g/mol
LogP4.95
Rot. Bonds4

About 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole

2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole (PubChem CID 58393897) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole
PubChem CID58393897
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole
SMILESc1ccc2c(c1)C[C@H](N1CCCC1)[C@H]2Oc1ccc(-c2nccs2)cc1
InChIInChI=1S/C22H22N2OS/c1-2-6-19-17(5-1)15-20(24-12-3-4-13-24)21(19)25-18-9-7-16(8-10-18)22-23-11-14-26-22/h1-2,5-11,14,20-21H,3-4,12-13,15H2/t20-,21-/m0/s1
InChIKeyVZPLWXCOSBOCJY-SFTDATJTSA-N
XLogP4.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole (CID 58393897) is 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole is c1ccc2c(c1)C[C@H](N1CCCC1)[C@H]2Oc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole?
The InChIKey is VZPLWXCOSBOCJY-SFTDATJTSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-2-6-19-17(5-1)15-20(24-12-3-4-13-24)21(19)25-18-9-7-16(8-10-18)22-23-11-14-26-22/h1-2,5-11,14,20-21H,3-4,12-13,15H2/t20-,21-/m0/s1.
What are the key properties of 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole?
2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole has a molecular weight of 362.50 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 58393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).