(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide

C27H34N4O2S — CID 46884410

IUPAC(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C(C)(C)C
InChIInChI=1S/C27H34N4O2S/c1-17(28-5)24(32)30-23(27(2,3)4)26(33)31-15-9-14-22(31)25-29-21(16-34-25)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,16-17,22-23,28H,9,14-15H2,1-5H3,(H,30,32)/t17-,22-,23+/m0/s1
InChIKeyGYYAJGUBSPVKPD-PDIWNELESA-N
MW478.66 g/mol
LogP4.77
Rot. Bonds6

About (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 46884410) has the molecular formula C27H34N4O2S and a molecular weight of 478.66 g/mol. Its IUPAC name is (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
PubChem CID46884410
Molecular FormulaC27H34N4O2S
Molecular Weight478.66 g/mol
Exact Mass478.24
IUPAC Name(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C(C)(C)C
InChIInChI=1S/C27H34N4O2S/c1-17(28-5)24(32)30-23(27(2,3)4)26(33)31-15-9-14-22(31)25-29-21(16-34-25)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,16-17,22-23,28H,9,14-15H2,1-5H3,(H,30,32)/t17-,22-,23+/m0/s1
InChIKeyGYYAJGUBSPVKPD-PDIWNELESA-N
XLogP4.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide with MolForge

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-(naphthalen-2-yl)thiazol-2-yl)acetamide
CID 3330432
N-{(1s)-1-Cyclohexyl-2-[(2s)-2-(4-Naphthalen-1-Yl-1,3-Thiazol-2-Yl)pyrrolidin-1-Yl]-2-Oxoethyl}-N~2~-Methyl-L-Alaninamide
CID 44820626
(R)-4-methyl-2-[3''-(2-piperazin-1-ylmethyl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide
CID 44414992
N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 46943151
N-[(3-fluorophenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778216
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(2-naphthalen-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 162651302
(2S)-N'-[(2-methylpropan-2-yl)oxy]-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanediamide
CID 129071862
5-([1,1'-Biphenyl]-2-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69080124
5-([1,1'-Biphenyl]-2-yl)-1-((2-phenylthiazol-4-yl)methyl)pyrrolidin-2-one
CID 69081902
5-([1,1'-Biphenyl]-2-yl)-3-methyl-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69083752
(2S,4R)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139712
US20250163075, Example 8
CID 172408440

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 46884410) is (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The InChIKey is GYYAJGUBSPVKPD-PDIWNELESA-N. The full InChI is InChI=1S/C27H34N4O2S/c1-17(28-5)24(32)30-23(27(2,3)4)26(33)31-15-9-14-22(31)25-29-21(16-34-25)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,16-17,22-23,28H,9,14-15H2,1-5H3,(H,30,32)/t17-,22-,23+/m0/s1.
What are the key properties of (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide?
(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 478.66 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 46884410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).