N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide

C23H31N3O2S — CID 149296787

IUPACN-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide
SMILESCc1ccccc1CN1CCSC1C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C23H31N3O2S/c1-14-4-2-3-5-16(14)13-26-6-7-29-21(26)20(27)25-19-17-8-15-9-18(19)12-23(10-15,11-17)22(24)28/h2-5,15,17-19,21H,6-13H2,1H3,(H2,24,28)(H,25,27)
InChIKeyXVYDNEFXCLJMNW-UHFFFAOYSA-N
MW413.59 g/mol
LogP2.67
Rot. Bonds5

About N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 149296787) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide
PubChem CID149296787
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide
SMILESCc1ccccc1CN1CCSC1C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C23H31N3O2S/c1-14-4-2-3-5-16(14)13-26-6-7-29-21(26)20(27)25-19-17-8-15-9-18(19)12-23(10-15,11-17)22(24)28/h2-5,15,17-19,21H,6-13H2,1H3,(H2,24,28)(H,25,27)
InChIKeyXVYDNEFXCLJMNW-UHFFFAOYSA-N
XLogP2.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 53320074
4-[[3-methyl-3-[(2-methylphenyl)sulfonylamino]butanoyl]amino]adamantane-1-carboxamide
CID 54756171
N-(5-carbamoyl-2-adamantyl)-4-[[5-(trifluoromethyl)furan-2-yl]methyl]thiomorpholine-3-carboxamide
CID 147310406
(3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxamide
CID 11624224
(2R)-N-(5-carbamoyl-2-adamantyl)-4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]morpholine-2-carboxamide
CID 66556415
(2S)-N-(5-carbamoyl-2-adamantyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 53324718
(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
CID 66556249
N-[(1R,3S)-5-carbamoyl-2-adamantyl]-5-(2-chlorophenyl)-1-methylpyrrole-2-carboxamide
CID 71479373
N-(5-carbamoyl-2-adamantyl)-4-[(6-chloro-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 66555911
N-[(1S,3R)-5-carbamoyl-2-adamantyl]-3-methyl-2-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 11855444
(5S)-3-[benzyl(methyl)amino]-N-(5-carbamoyl-2-adamantyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 52939874
(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
CID 11696680

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide (CID 149296787) is N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide is Cc1ccccc1CN1CCSC1C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is XVYDNEFXCLJMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-14-4-2-3-5-16(14)13-26-6-7-29-21(26)20(27)25-19-17-8-15-9-18(19)12-23(10-15,11-17)22(24)28/h2-5,15,17-19,21H,6-13H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 149296787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).