1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C26H36N4O2S — CID 108750862

IUPAC1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)CC1=O
InChIInChI=1S/C26H36N4O2S/c1-5-19-8-7-9-20(6-2)24(19)30-15-21(14-23(30)31)25(32)28-26-27-18(4)22(33-26)16-29-12-10-17(3)11-13-29/h7-9,17,21H,5-6,10-16H2,1-4H3,(H,27,28,32)
InChIKeyRKSNLXFTUPPOPE-UHFFFAOYSA-N
MW468.67 g/mol
LogP4.80
Rot. Bonds7

About 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108750862) has the molecular formula C26H36N4O2S and a molecular weight of 468.67 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108750862
Molecular FormulaC26H36N4O2S
Molecular Weight468.67 g/mol
Exact Mass468.26
IUPAC Name1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)CC1=O
InChIInChI=1S/C26H36N4O2S/c1-5-19-8-7-9-20(6-2)24(19)30-15-21(14-23(30)31)25(32)28-26-27-18(4)22(33-26)16-29-12-10-17(3)11-13-29/h7-9,17,21H,5-6,10-16H2,1-4H3,(H,27,28,32)
InChIKeyRKSNLXFTUPPOPE-UHFFFAOYSA-N
XLogP4.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethyl-6-methylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108750863
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108726755
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 108726775
1-(2,6-diethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108769810
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
3-[[(3R)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056341
2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726723
2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108726788
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056326

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 108750862) is 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1CC(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)CC1=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RKSNLXFTUPPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2S/c1-5-19-8-7-9-20(6-2)24(19)30-15-21(14-23(30)31)25(32)28-26-27-18(4)22(33-26)16-29-12-10-17(3)11-13-29/h7-9,17,21H,5-6,10-16H2,1-4H3,(H,27,28,32).
What are the key properties of 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 468.67 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108750862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).