methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

C24H34N4O5S — CID 123581204

IUPACmethyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)C(NC(=O)C(C)N(C)C(=O)O)C(=O)N1CCSC1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C24H34N4O5S/c1-14(2)19(26-20(29)15(3)27(4)24(32)33)22(31)28-12-13-34-23(28)21(30)25-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,14-15,18-19,23H,7,9,11-13H2,1-4H3,(H,25,30)(H,26,29)(H,32,33)
InChIKeyXCLPXLMOFLERRU-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.22
Rot. Bonds7

About methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 123581204) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID123581204
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Namemethyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)C(NC(=O)C(C)N(C)C(=O)O)C(=O)N1CCSC1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C24H34N4O5S/c1-14(2)19(26-20(29)15(3)27(4)24(32)33)22(31)28-12-13-34-23(28)21(30)25-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,14-15,18-19,23H,7,9,11-13H2,1-4H3,(H,25,30)(H,26,29)(H,32,33)
InChIKeyXCLPXLMOFLERRU-UHFFFAOYSA-N
XLogP2.22
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid with MolForge

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Related Compounds

methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 67103125
methyl-[1-[[3-methyl-1-[2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 123650822
[(2S)-1-[[(1S)-2-[(2S,4S)-4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 122641788
(2S)-1-[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 173139030
[1-[[1-[6-amino-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 90083345
tert-butyl N-methyl-N-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 59415495
(4S)-3-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-4-carboxamide
CID 11502879
(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-(2-methylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975380
tert-butyl N-[(2S)-1-[[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59440303
tert-butyl N-[(2S)-1-[[3,3-dimethyl-1-oxo-1-[(2S,5S)-2-phenyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59415568
1-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 11627167
(2S,4S)-4-amino-1-[(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3,3-dimethylbutanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 70988087

Frequently Asked Questions

What is the IUPAC name of methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 123581204) is methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is CC(C)C(NC(=O)C(C)N(C)C(=O)O)C(=O)N1CCSC1C(=O)NC1CCCc2ccccc21.
What is the InChIKey of methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is XCLPXLMOFLERRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-14(2)19(26-20(29)15(3)27(4)24(32)33)22(31)28-12-13-34-23(28)21(30)25-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,14-15,18-19,23H,7,9,11-13H2,1-4H3,(H,25,30)(H,26,29)(H,32,33).
What are the key properties of methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 490.63 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 123581204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).