(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide

C22H24N2O3S — CID 143493995

IUPAC(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide
SMILESCOC1=C(OC)CC2C[C@](C)(C(=O)Nc3nccs3)[C@H](c3ccccc3)C2=C1
InChIInChI=1S/C22H24N2O3S/c1-22(20(25)24-21-23-9-10-28-21)13-15-11-17(26-2)18(27-3)12-16(15)19(22)14-7-5-4-6-8-14/h4-10,12,15,19H,11,13H2,1-3H3,(H,23,24,25)/t15?,19-,22+/m1/s1
InChIKeyYODAXKZNAFXUDZ-IBWUSFKPSA-N
MW396.51 g/mol
LogP4.73
Rot. Bonds5

About (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide

(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide (PubChem CID 143493995) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide
PubChem CID143493995
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide
SMILESCOC1=C(OC)CC2C[C@](C)(C(=O)Nc3nccs3)[C@H](c3ccccc3)C2=C1
InChIInChI=1S/C22H24N2O3S/c1-22(20(25)24-21-23-9-10-28-21)13-15-11-17(26-2)18(27-3)12-16(15)19(22)14-7-5-4-6-8-14/h4-10,12,15,19H,11,13H2,1-3H3,(H,23,24,25)/t15?,19-,22+/m1/s1
InChIKeyYODAXKZNAFXUDZ-IBWUSFKPSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581972
6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581944
[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate
CID 87670008
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 87668394
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
CID 71986302
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
(1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 89128160
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 87670053
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630
15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 89105368

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide?
The IUPAC name of (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide (CID 143493995) is (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide.
What is the SMILES notation for (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide?
The canonical SMILES for (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide is COC1=C(OC)CC2C[C@](C)(C(=O)Nc3nccs3)[C@H](c3ccccc3)C2=C1.
What is the InChIKey of (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide?
The InChIKey is YODAXKZNAFXUDZ-IBWUSFKPSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-22(20(25)24-21-23-9-10-28-21)13-15-11-17(26-2)18(27-3)12-16(15)19(22)14-7-5-4-6-8-14/h4-10,12,15,19H,11,13H2,1-3H3,(H,23,24,25)/t15?,19-,22+/m1/s1.
What are the key properties of (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide?
(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide is sourced from PubChem (CID 143493995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).