(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

C21H20N2O2S — CID 87670053

IUPAC(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESC[C@]1(C(=O)Nc2nccs2)Cc2ccc(O)cc2[C@H]1Cc1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-21(19(25)23-20-22-9-10-26-20)13-15-7-8-16(24)12-17(15)18(21)11-14-5-3-2-4-6-14/h2-10,12,18,24H,11,13H2,1H3,(H,22,23,25)/t18-,21+/m1/s1
InChIKeyDXDMZWRKRMNOLS-NQIIRXRSSA-N
MW364.47 g/mol
LogP4.38
Rot. Bonds4

About (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 87670053) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID87670053
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESC[C@]1(C(=O)Nc2nccs2)Cc2ccc(O)cc2[C@H]1Cc1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-21(19(25)23-20-22-9-10-26-20)13-15-7-8-16(24)12-17(15)18(21)11-14-5-3-2-4-6-14/h2-10,12,18,24H,11,13H2,1H3,(H,22,23,25)/t18-,21+/m1/s1
InChIKeyDXDMZWRKRMNOLS-NQIIRXRSSA-N
XLogP4.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (CID 87670053) is (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is C[C@]1(C(=O)Nc2nccs2)Cc2ccc(O)cc2[C@H]1Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is DXDMZWRKRMNOLS-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-21(19(25)23-20-22-9-10-26-20)13-15-7-8-16(24)12-17(15)18(21)11-14-5-3-2-4-6-14/h2-10,12,18,24H,11,13H2,1H3,(H,22,23,25)/t18-,21+/m1/s1.
What are the key properties of (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 87670053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).