(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

C20H18N2O2S — CID 87668394

IUPAC(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](C(=O)Nc1nccs1)C2
InChIInChI=1S/C20H18N2O2S/c1-24-15-8-7-14-11-17(19(23)22-20-21-9-10-25-20)18(16(14)12-15)13-5-3-2-4-6-13/h2-10,12,17-18H,11H2,1H3,(H,21,22,23)/t17-,18-/m1/s1
InChIKeyQGQWDDRZHLSKTO-QZTJIDSGSA-N
MW350.44 g/mol
LogP4.09
Rot. Bonds4

About (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 87668394) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID87668394
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](C(=O)Nc1nccs1)C2
InChIInChI=1S/C20H18N2O2S/c1-24-15-8-7-14-11-17(19(23)22-20-21-9-10-25-20)18(16(14)12-15)13-5-3-2-4-6-13/h2-10,12,17-18H,11H2,1H3,(H,21,22,23)/t17-,18-/m1/s1
InChIKeyQGQWDDRZHLSKTO-QZTJIDSGSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398753
(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398748
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581972
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
2-(4-methoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 3149456
ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 143671145
ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10542989
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 166182588
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 87668394) is (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is COc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](C(=O)Nc1nccs1)C2.
What is the InChIKey of (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is QGQWDDRZHLSKTO-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-24-15-8-7-14-11-17(19(23)22-20-21-9-10-25-20)18(16(14)12-15)13-5-3-2-4-6-13/h2-10,12,17-18H,11H2,1H3,(H,21,22,23)/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 87668394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).