[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate

C22H21N3O3S — CID 87670008

IUPAC[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc([C@@H]2c3ccccc3C[C@]2(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H21N3O3S/c1-22(19(26)25-20-24-11-12-29-20)13-15-5-3-4-6-17(15)18(22)14-7-9-16(10-8-14)28-21(27)23-2/h3-12,18H,13H2,1-2H3,(H,23,27)(H,24,25,26)/t18-,22+/m1/s1
InChIKeyVLAJHHNIFGYHOH-GCJKJVERSA-N
MW407.50 g/mol
LogP4.19
Rot. Bonds4

About [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate

[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate (PubChem CID 87670008) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate
PubChem CID87670008
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc([C@@H]2c3ccccc3C[C@]2(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H21N3O3S/c1-22(19(26)25-20-24-11-12-29-20)13-15-5-3-4-6-17(15)18(22)14-7-9-16(10-8-14)28-21(27)23-2/h3-12,18H,13H2,1-2H3,(H,23,27)(H,24,25,26)/t18-,22+/m1/s1
InChIKeyVLAJHHNIFGYHOH-GCJKJVERSA-N
XLogP4.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581944
5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581972
(1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 89128160
(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 87670053
(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide
CID 143493995
(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 69040300
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
2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 25018995
(1R,2S)-6-[(S)-hydroxy(phenyl)methyl]-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 69041278
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 87668394
(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate
CID 90300912
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate?
The IUPAC name of [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate (CID 87670008) is [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate.
What is the SMILES notation for [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate?
The canonical SMILES for [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate is CNC(=O)Oc1ccc([C@@H]2c3ccccc3C[C@]2(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate?
The InChIKey is VLAJHHNIFGYHOH-GCJKJVERSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-22(19(26)25-20-24-11-12-29-20)13-15-5-3-4-6-17(15)18(22)14-7-9-16(10-8-14)28-21(27)23-2/h3-12,18H,13H2,1-2H3,(H,23,27)(H,24,25,26)/t18-,22+/m1/s1.
What are the key properties of [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate?
[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate has a molecular weight of 407.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate is sourced from PubChem (CID 87670008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).