2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione

C26H24FN3O3S — CID 129025703

IUPAC2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
SMILESCc1nc(C(=O)N2CCC[C@@H](C)C2CN2C(=O)c3ccccc3C2=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24FN3O3S/c1-15-6-5-13-29(21(15)14-30-24(31)19-7-3-4-8-20(19)25(30)32)26(33)22-23(34-16(2)28-22)17-9-11-18(27)12-10-17/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3/t15-,21?/m1/s1
InChIKeyILVWKYIVOSGZMD-RBFZIWAESA-N
MW477.56 g/mol
LogP4.79
Rot. Bonds4

About 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione

2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 129025703) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
PubChem CID129025703
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC Name2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
SMILESCc1nc(C(=O)N2CCC[C@@H](C)C2CN2C(=O)c3ccccc3C2=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24FN3O3S/c1-15-6-5-13-29(21(15)14-30-24(31)19-7-3-4-8-20(19)25(30)32)26(33)22-23(34-16(2)28-22)17-9-11-18(27)12-10-17/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3/t15-,21?/m1/s1
InChIKeyILVWKYIVOSGZMD-RBFZIWAESA-N
XLogP4.79
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 131737123
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(2,3,3-trimethylpiperidin-1-yl)methanone
CID 145079141
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(4-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 67157873
2-[[1-(2-iodo-5-methylbenzoyl)-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
CID 118310020
[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 10160068
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-1-yl]methanone
CID 23146308
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
CID 10276421
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
2-[[1-(5-chloro-2-iodobenzoyl)-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
CID 118309943
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione (CID 129025703) is 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione is Cc1nc(C(=O)N2CCC[C@@H](C)C2CN2C(=O)c3ccccc3C2=O)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is ILVWKYIVOSGZMD-RBFZIWAESA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-15-6-5-13-29(21(15)14-30-24(31)19-7-3-4-8-20(19)25(30)32)26(33)22-23(34-16(2)28-22)17-9-11-18(27)12-10-17/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3/t15-,21?/m1/s1.
What are the key properties of 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione?
2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 477.56 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 129025703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).