1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide

C24H26N4O2S — CID 75554207

IUPAC1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)N2CCCC2C(=O)NCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H26N4O2S/c1-17-9-11-18(12-10-17)14-26-24(30)28-13-5-8-21(28)22(29)25-15-20-16-31-23(27-20)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,21H,5,8,13-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyOLGHVZPJPNAKIF-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.11
Rot. Bonds6

About 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 75554207) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID75554207
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)N2CCCC2C(=O)NCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H26N4O2S/c1-17-9-11-18(12-10-17)14-26-24(30)28-13-5-8-21(28)22(29)25-15-20-16-31-23(27-20)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,21H,5,8,13-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyOLGHVZPJPNAKIF-UHFFFAOYSA-N
XLogP4.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Marthiapeptide A
CID 71459810
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
(2S)-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-1-[(2R)-3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide
CID 10940667
(1-Benzhydryl-2-{2-[(4-carbamimidoyl-thiazol-2-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylamino)-acetic acid
CID 10995072
2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 23644677
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazol-4-yl]benzamide
CID 11533114
4-methyl-N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 137642813
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4175212
Bathiapeptide A1
CID 168273987
1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 21926665
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
(2S)-1-N-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 44129274

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide (CID 75554207) is 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc(CNC(=O)N2CCCC2C(=O)NCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is OLGHVZPJPNAKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-9-11-18(12-10-17)14-26-24(30)28-13-5-8-21(28)22(29)25-15-20-16-31-23(27-20)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,21H,5,8,13-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylphenyl)methyl]-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 75554207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).