(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide

C19H17N3O2S — CID 69040300

IUPAC(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESC[C@]1(C(=O)Nc2nncs2)Cc2ccc(O)cc2[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-19(17(24)21-18-22-20-11-25-18)10-13-7-8-14(23)9-15(13)16(19)12-5-3-2-4-6-12/h2-9,11,16,23H,10H2,1H3,(H,21,22,24)/t16-,19+/m1/s1
InChIKeyCWJLOGFEFXHENK-APWZRJJASA-N
MW351.43 g/mol
LogP3.58
Rot. Bonds3

About (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide

(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 69040300) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID69040300
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESC[C@]1(C(=O)Nc2nncs2)Cc2ccc(O)cc2[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-19(17(24)21-18-22-20-11-25-18)10-13-7-8-14(23)9-15(13)16(19)12-5-3-2-4-6-12/h2-9,11,16,23H,10H2,1H3,(H,21,22,24)/t16-,19+/m1/s1
InChIKeyCWJLOGFEFXHENK-APWZRJJASA-N
XLogP3.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide (CID 69040300) is (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide is C[C@]1(C(=O)Nc2nncs2)Cc2ccc(O)cc2[C@H]1c1ccccc1.
What is the InChIKey of (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is CWJLOGFEFXHENK-APWZRJJASA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-19(17(24)21-18-22-20-11-25-18)10-13-7-8-14(23)9-15(13)16(19)12-5-3-2-4-6-12/h2-9,11,16,23H,10H2,1H3,(H,21,22,24)/t16-,19+/m1/s1.
What are the key properties of (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 69040300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).